CAS RN: 207919-06-0
4-FLUORO-2-(TRIFLUOROMETHYL)BENZAMIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250125 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS207919-06-0
- Purity/Analytical Methods: >99.0%
207919-06-0 / 4-fluoro-2-(trifluoromethyl)benzamide
Basic Information
CAS
207919-06-0
Multi CAS
No
Molecular Formula
C8H5F4NO
Molecular Weight
207.120000
Exact Mass
207.030726
SMILES
C1=CC(=C(C=C1F)C(F)(F)F)C(=O)N
InChI
InChI=1S/C8H5F4NO/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h1-3H,(H2,13,14)
InChIKey
HRJKVZCCWLPFMF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.92
TPSA
43.09
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
0.8
Consensus LogP
1.48
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
Pentanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (4S)- (9CI)
- CAS RN: 207924-92-3
- Product Code: SSC-097825
-
-
-
-
![CAS 207924-92-3 Pentanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (4S)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/207924-92-3.gif)
