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Chemistry
Organic Building Blocks
Fluorinated Building Blocks
Perfluorovaleric acid
Chemistry
Organic Building Blocks
Fluorinated Building Blocks
Carboxylic Acids Trifluoromethyls Aliphatic Chain Hydrocarbons

[ CAS No. 2706-90-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
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There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
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Limited Quantity USD 15-60
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Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
3d Animation Molecule Structure of 2706-90-3
Chemical Structure| 2706-90-3
Chemical Structure| 2706-90-3
Structure of 2706-90-3 * Storage: {[proInfo.prStorage]}
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For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 2706-90-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 2706-90-3 ]

SDS Specification
Alternatived Products of [ 2706-90-3 ]

Product Details of [ 2706-90-3 ]

CAS No. :2706-90-3 MDL No. :MFCD00040211
Formula : C5HF9O2 Boiling Point : -
Linear Structure Formula :- InChI Key :CXZGQIAOTKWCDB-UHFFFAOYSA-N
M.W : 264.05 Pubchem ID :75921
Synonyms :

Calculated chemistry of [ 2706-90-3 ]

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 4
Num. H-bond acceptors : 11.0
Num. H-bond donors : 1.0
Molar Refractivity : 28.53
TPSA : 37.3 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.84 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.96
Log Po/w (XLOGP3) : 2.92
Log Po/w (WLOGP) : 6.32
Log Po/w (MLOGP) : 2.43
Log Po/w (SILICOS-IT) : 2.97
Consensus Log Po/w : 3.12

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -3.05
Solubility : 0.234 mg/ml ; 0.000886 mol/l
Class : Soluble
Log S (Ali) : -3.36
Solubility : 0.114 mg/ml ; 0.000432 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.96
Solubility : 2.87 mg/ml ; 0.0109 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.91

Safety of [ 2706-90-3 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3265
Hazard Statements:H314 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 2706-90-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 2706-90-3 ]
  • Downstream synthetic route of [ 2706-90-3 ]

[ 2706-90-3 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 77945-21-2 ]
  • [ 2706-90-3 ]
  • [ 375-73-5 ]
Reference： [1] Tetrahedron, 1981, vol. 37, p. 487 - 492
[2] , Gmelin Handbook: F: PerFHalOrg.SVol.3, 6.2.3.1, page 48 - 120,

Tags: 2706-90-3 synthesis path| 2706-90-3 SDS| 2706-90-3 COA| 2706-90-3 purity| 2706-90-3 application| 2706-90-3 NMR| 2706-90-3 COA| 2706-90-3 structure

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