Molecule

ID:121916

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₃NO₂
Molecular Mass
245.1978096
Exact Mass
245.06636323
Charge
0
InChI
InChI=1S/C11H10F3NO2/c1-7(16)6-10(17)15-9-5-3-2-4-8(9)11(12,13)14/h2-5H,6H2,1H3,(H,15,17)
InChIKey
VATRWWPJWVCZTA-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccccc1C(F)(F)F)CC(=O)C
Isomeric Smiles
C(c1c(NC(=O)CC(=O)C)cccc1)(F)(F)F
Calculated Properties
JChem
Acid pKa
10.506796
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3106544
LogD (pH = 7.4)
2.3103194
Log P
2.3106587
Molar Refractivity
56.7899
Polarizability
20.212164
Polar Surface Area
46.17
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
Navigation
CAS 81761-28-6|3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide|3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide|3-oxo-N-(2-(trifluoromethyl)phenyl)butanamide|3-Oxo-N-(2-trifluoromethyl-phenyl)-butyramide | Molfinder