CAS RN: 2160-89-6
1,1,1,3,3,3-Hexafluoroisopropyl Acrylate (stabilized with TBC)
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
- Product code: ICTH1582
- Purity/Analytical Methods: >98.0%(GC)
2160-89-6 / 1,1,1,3,3,3-hexafluoropropan-2-yl prop-2-enoate
Basic Information
CAS
2160-89-6
Multi CAS
No
Molecular Formula
C6H4F6O2
Molecular Weight
222.080000
Exact Mass
222.011548
SMILES
C=CC(=O)OC(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C6H4F6O2/c1-2-3(13)14-4(5(7,8)9)6(10,11)12/h2,4H,1H2
InChIKey
MNSWITGNWZSAMC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
32.19
TPSA
26.3
LogP / Solubility
WLOGP
2.21
MLOGP
1.95
XLogP3
3
Consensus LogP
2.39
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
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)
-2.51
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
Customers Also Viewed
-
-
-
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
-
Docosyl Acrylate (stabilized with MEHQ)
- CAS RN: 18299-85-9
- Product Code: ICTD5075
- Purity/Analytical method: >95.0%(GC)
-
