(3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine

C14H16F5N — CID 105142128

IUPAC(3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(c1cc(F)cc(F)c1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H16F5N/c15-11-5-9(6-12(16)7-11)13(20)8-1-3-10(4-2-8)14(17,18)19/h5-8,10,13H,1-4,20H2
InChIKeyUGMIZWFYZPYSPU-UHFFFAOYSA-N
MW293.28 g/mol
LogP4.33
Rot. Bonds2

About (3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine

(3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105142128) has the molecular formula C14H16F5N and a molecular weight of 293.28 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105142128
Molecular FormulaC14H16F5N
Molecular Weight293.28 g/mol
Exact Mass293.12
IUPAC Name(3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(c1cc(F)cc(F)c1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H16F5N/c15-11-5-9(6-12(16)7-11)13(20)8-1-3-10(4-2-8)14(17,18)19/h5-8,10,13H,1-4,20H2
InChIKeyUGMIZWFYZPYSPU-UHFFFAOYSA-N
XLogP4.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine 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

cyclopropyl-(3,5-difluorophenyl)methanamine
CID 62789483
[(3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105301886
(S)-cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 131485190
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 138986249
(R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride
CID 171204514
(2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105149474
(R)-cyclopropyl-(3-fluoro-5-methoxyphenyl)methanamine
CID 55278948
(R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine
CID 130054445
[3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
CID 171922490
(4-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105144448
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 106944937
(3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105188014

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of (3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 105142128) is (3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for (3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for (3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine is NC(c1cc(F)cc(F)c1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is UGMIZWFYZPYSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F5N/c15-11-5-9(6-12(16)7-11)13(20)8-1-3-10(4-2-8)14(17,18)19/h5-8,10,13H,1-4,20H2.
What are the key properties of (3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
(3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 293.28 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105142128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).