CAS RN: 376-72-7
5H-OCTAFLUOROPENTANOIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260522 | 100g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS376-72-7
- Purity/Analytical Methods: >99.0%
376-72-7 / 2,2,3,3,4,4,5,5-octafluoropentanoic acid
Basic Information
CAS
376-72-7
Multi CAS
Yes
Molecular Formula
C5F8H2O2
Molecular Weight
246.050000
Exact Mass
245.992705
InChI
InChI=1S/C5H2F8O2/c6-1(7)3(8,9)5(12,13)4(10,11)2(14)15/h1H,(H,14,15)
InChIKey
VGFKXVSMDOKOJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
28.48
TPSA
37.3
LogP / Solubility
WLOGP
2.24
MLOGP
1.98
XLogP3
2.7
Consensus LogP
2.31
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly 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)
-2.63
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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