![CAS 199678-28-9 2,2,2-Trifluoro-N-2-[4-(trifluoromethyl)phenyl]ethylacetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/199678-28-9.png)
CAS RN: 199678-28-9
2,2,2-Trifluoro-N-2-[4-(trifluoromethyl)phenyl]ethylacetamide
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250502 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINT926995
199678-28-9 / 2,2,2-trifluoro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
Basic Information
CAS
199678-28-9
Multi CAS
No
Molecular Formula
C11H9F6NO
Molecular Weight
285.190000
Exact Mass
285.058833
SMILES
C1=CC(=CC=C1CCNC(=O)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C11H9F6NO/c12-10(13,14)8-3-1-7(2-4-8)5-6-18-9(19)11(15,16)17/h1-4H,5-6H2,(H,18,19)
InChIKey
GVNYFAWTACKXNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.21
TPSA
29.1
LogP / Solubility
WLOGP
2.93
MLOGP
2.59
XLogP3
3.5
Consensus LogP
3.01
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly 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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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