CAS RN: 74359-10-7
2,2,2-trifluoroethyl 2-fluoroprop-2-enoate
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.20250628 | 1g / 5g | Out of stock | 30 business days | Inquiry |
- Product code: LINT904816
74359-10-7 / 2,2,2-trifluoroethyl 2-fluoroprop-2-enoate
Basic Information
CAS
74359-10-7
Multi CAS
Yes
Molecular Formula
C5F4H4O2
Molecular Weight
172.080000
Exact Mass
172.014742
InChI
InChI=1S/C5H4F4O2/c1-3(6)4(10)11-2-5(7,8)9/h1-2H2
InChIKey
COXVPPNYSBFWNG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
27.26
TPSA
26.3
LogP / Solubility
WLOGP
1.58
MLOGP
1.38
XLogP3
2.1
Consensus LogP
1.69
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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