2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]aniline

C13H14Cl2F3N — CID 64754843

IUPAC2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]aniline
SMILESFC(F)(F)C1CCC(Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C13H14Cl2F3N/c14-9-3-6-11(15)12(7-9)19-10-4-1-8(2-5-10)13(16,17)18/h3,6-8,10,19H,1-2,4-5H2
InChIKeyWMISTHUDYOUJPK-UHFFFAOYSA-N
MW312.16 g/mol
LogP5.53
Rot. Bonds2

About 2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]aniline

2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 64754843) has the molecular formula C13H14Cl2F3N and a molecular weight of 312.16 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]aniline
PubChem CID64754843
Molecular FormulaC13H14Cl2F3N
Molecular Weight312.16 g/mol
Exact Mass311.05
IUPAC Name2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]aniline
SMILESFC(F)(F)C1CCC(Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C13H14Cl2F3N/c14-9-3-6-11(15)12(7-9)19-10-4-1-8(2-5-10)13(16,17)18/h3,6-8,10,19H,1-2,4-5H2
InChIKeyWMISTHUDYOUJPK-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.16
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]aniline 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-chloro-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64753624
N-(2,5-dichlorophenyl)oxepan-4-amine
CID 65076765
5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline
CID 43438410
2,5-dichloro-N-(3-methoxycyclobutyl)aniline
CID 106821242
3-chloro-5-fluoro-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 107363988
N-(2,5-dichlorophenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166964
4-chloro-N-cyclopropyl-2-iodoaniline
CID 107632159
4-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 24651399
2,5-dichloro-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427839
2-chloro-5-nitro-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 64758810
N-(2,5-dichlorophenyl)-5-methylthiolan-3-amine
CID 79942146
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730387

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]aniline (CID 64754843) is 2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]aniline is FC(F)(F)C1CCC(Nc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is WMISTHUDYOUJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2F3N/c14-9-3-6-11(15)12(7-9)19-10-4-1-8(2-5-10)13(16,17)18/h3,6-8,10,19H,1-2,4-5H2.
What are the key properties of 2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]aniline?
2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]aniline has a molecular weight of 312.16 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 64754843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).