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CAS 356-86-5 2,2,3,3,3-PENTAFLUOROPROPYL ACRYLATE molecular structure lightbox
CAS RN: 356-86-5

2,2,3,3,3-PENTAFLUOROPROPYL ACRYLATE

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5 package records2 with current stock2 grade groups
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Batchno.20250907 25g In stock Inquiry
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  • Product code: starshine_CAS356-86-5
  • Purity/Analytical Methods: >99.0%
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356-86-5 / 2,2,3,3,3-pentafluoropropyl prop-2-enoate

Standard CAS: 356-86-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
356-86-5
Multi CAS
Yes
Molecular Formula
C6F5H5O2
Molecular Weight
204.090000
Exact Mass
204.020970
InChI
InChI=1S/C6H5F5O2/c1-2-4(12)13-3-5(7,8)6(9,10)11/h2H,1,3H2
InChIKey
JDVGNKIUXZQTFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
32.16
TPSA
26.3

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
2.5
Consensus LogP
2.03
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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