CAS RN: 25291-17-2
(Perfluorohexyl)ethylene
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock3 grade groups
- Product code: ICTP1102
- Purity/Analytical Methods: >96.0%(GC)
25291-17-2 / 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
Basic Information
CAS
25291-17-2
Multi CAS
No
Molecular Formula
C8H3F13
Molecular Weight
346.090000
Exact Mass
346.002716
SMILES
C=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H3F13/c1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2H,1H2
InChIKey
FYQFWFHDPNXORA-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
13
Molar refractivity
40.99
TPSA
0.0000
LogP / Solubility
WLOGP
4.91
MLOGP
4.34
XLogP3
5.3
Consensus LogP
4.85
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.59
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
2,2,3,4,4,4-Hexafluorobutyl Acrylate (stabilized with TBC)
- CAS RN: 54052-90-3
- Product Code: SSC-161573
-
1,1,1,3,3,3-Hexafluoroisopropyl Acrylate (stabilized with TBC)
- CAS RN: 2160-89-6
- Product Code: ICTH1582
- Purity/Analytical method: >98.0%(GC)
-
1H,1H,2H,2H-Tridecafluoro-n-octyl Acrylate (stabilized with HQ + MEHQ)
- CAS RN: 17527-29-6
- Product Code: SSC-076895
-
2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl Acrylate (stabilized with TBC)
- CAS RN: 2993-85-3
- Product Code: SSC-133311
-
1H,1H,2H,2H-Heptadecafluorodecyl Acrylate (stabilized with BHT + TBC)
- CAS RN: 27905-45-9
- Product Code: SSC-128334
-
1H,1H-Pentadecafluoro-n-octyl Acrylate (stabilized with MEHQ)
- CAS RN: 307-98-2
- Product Code: SSC-135630
