CAS RN: 461-34-7
4,4,4-trifluoro-Butanamide
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.20250125 | 250mg / 1g / 5g | Out of stock | 30 business days | Inquiry |
- Product code: LINB904811
461-34-7 / 4,4,4-trifluorobutanamide
Basic Information
CAS
461-34-7
Multi CAS
No
Molecular Formula
C4F3H6NO
Molecular Weight
141.090000
Exact Mass
141.040148
InChI
InChI=1S/C4H6F3NO/c5-4(6,7)2-1-3(8)9/h1-2H2,(H2,8,9)
InChIKey
RRIHBAAFBONJDL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
24.48
TPSA
43.09
LogP / Solubility
WLOGP
0.81
MLOGP
0.71
XLogP3
0.5
Consensus LogP
0.67
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
Class (SILICOS-IT)
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)
-3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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