4-methyl-1-[4-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid

C15H18F3NO2 — CID 61341954

IUPAC4-methyl-1-[4-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(Nc2ccc(C(F)(F)F)cc2)(C(=O)O)CC1
InChIInChI=1S/C15H18F3NO2/c1-10-6-8-14(9-7-10,13(20)21)19-12-4-2-11(3-5-12)15(16,17)18/h2-5,10,19H,6-9H2,1H3,(H,20,21)
InChIKeyHMNWWVRYWGAVKB-UHFFFAOYSA-N
MW301.31 g/mol
LogP4.15
Rot. Bonds3

About 4-methyl-1-[4-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid

4-methyl-1-[4-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid (PubChem CID 61341954) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 4-methyl-1-[4-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[4-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid
PubChem CID61341954
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name4-methyl-1-[4-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(Nc2ccc(C(F)(F)F)cc2)(C(=O)O)CC1
InChIInChI=1S/C15H18F3NO2/c1-10-6-8-14(9-7-10,13(20)21)19-12-4-2-11(3-5-12)15(16,17)18/h2-5,10,19H,6-9H2,1H3,(H,20,21)
InChIKeyHMNWWVRYWGAVKB-UHFFFAOYSA-N
XLogP4.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-[4-(trifluoromethyl)anilino]cyclohexane-1-carboxylic 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

1-(4-carbamoylanilino)-4-methylcyclohexane-1-carboxylic acid
CID 61289571
4-methyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 66330615
4-methyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexane-1-carboxylic acid
CID 114449330
6-methyl-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[2.5]octane-1-carboxamide
CID 155221379
1-anilino-4-methylcyclohexane-1-carboxamide
CID 54889334
1-(3-fluoroanilino)-4-methylcycloheptane-1-carboxylic acid
CID 65084949
1-anilino-4-tert-butylcycloheptane-1-carboxylic acid
CID 65095079
1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxylic acid
CID 103563450
4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
CID 60992313
1-(4-fluoroanilino)-3-methylcyclohexane-1-carboxylic acid
CID 60991952
1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid
CID 65451385
1-[[4-(trifluoromethyl)anilino]methyl]cyclopropane-1-carboxylic acid
CID 115450323

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[4-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid (CID 61341954) is 4-methyl-1-[4-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[4-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[4-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid is CC1CCC(Nc2ccc(C(F)(F)F)cc2)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[4-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid?
The InChIKey is HMNWWVRYWGAVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-10-6-8-14(9-7-10,13(20)21)19-12-4-2-11(3-5-12)15(16,17)18/h2-5,10,19H,6-9H2,1H3,(H,20,21).
What are the key properties of 4-methyl-1-[4-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid?
4-methyl-1-[4-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid has a molecular weight of 301.31 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61341954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).