CAS RN: 2795-50-8
Ethyl 5H-Octafluorovalerate
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250222 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTE1022
- Purity/Analytical Methods: >98.0%(GC)
2795-50-8 / ethyl 2,2,3,3,4,4,5,5-octafluoropentanoate
Basic Information
CAS
2795-50-8
Multi CAS
No
Molecular Formula
C7H6F8O2
Molecular Weight
274.110000
Exact Mass
274.024005
InChI
InChI=1S/C7H6F8O2/c1-2-17-4(16)6(12,13)7(14,15)5(10,11)3(8)9/h3H,2H2,1H3
InChIKey
HXWMNJVBQLBDGW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
37.48
TPSA
26.3
LogP / Solubility
WLOGP
2.72
MLOGP
2.4
XLogP3
3.2
Consensus LogP
2.77
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly 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)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
