2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C12H11F4NO3 — CID 81481850

IUPAC2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1cccc(C(=O)N(CC(=O)O)CC(F)(F)F)c1F
InChIInChI=1S/C12H11F4NO3/c1-7-3-2-4-8(10(7)13)11(20)17(5-9(18)19)6-12(14,15)16/h2-4H,5-6H2,1H3,(H,18,19)
InChIKeySMAXRJANYQUQBE-UHFFFAOYSA-N
MW293.22 g/mol
LogP2.22
Rot. Bonds4

About 2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 81481850) has the molecular formula C12H11F4NO3 and a molecular weight of 293.22 g/mol. Its IUPAC name is 2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID81481850
Molecular FormulaC12H11F4NO3
Molecular Weight293.22 g/mol
Exact Mass293.07
IUPAC Name2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1cccc(C(=O)N(CC(=O)O)CC(F)(F)F)c1F
InChIInChI=1S/C12H11F4NO3/c1-7-3-2-4-8(10(7)13)11(20)17(5-9(18)19)6-12(14,15)16/h2-4H,5-6H2,1H3,(H,18,19)
InChIKeySMAXRJANYQUQBE-UHFFFAOYSA-N
XLogP2.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990578
N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80719091
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
2-[(6-methylpyridine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258133
N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78865711
2-[(2,5-dimethylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990159
2-[(2,5-dimethylfuran-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990637
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide
CID 81477271
2-[(1,5-dimethylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78925294
2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid
CID 81267588
2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990430
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 80710544

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 81481850) is 2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1cccc(C(=O)N(CC(=O)O)CC(F)(F)F)c1F.
What is the InChIKey of 2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is SMAXRJANYQUQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4NO3/c1-7-3-2-4-8(10(7)13)11(20)17(5-9(18)19)6-12(14,15)16/h2-4H,5-6H2,1H3,(H,18,19).
What are the key properties of 2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 293.22 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 81481850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).