3-methyl-4-(trifluoromethyl)cyclohexan-1-amine

C8H14F3N — CID 89074112

IUPAC3-methyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1CC(N)CCC1C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-5-4-6(12)2-3-7(5)8(9,10)11/h5-7H,2-4,12H2,1H3
InChIKeyOPJTWXKSVMSANH-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.31
Rot. Bonds

About 3-methyl-4-(trifluoromethyl)cyclohexan-1-amine

3-methyl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 89074112) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 3-methyl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID89074112
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name3-methyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1CC(N)CCC1C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-5-4-6(12)2-3-7(5)8(9,10)11/h5-7H,2-4,12H2,1H3
InChIKeyOPJTWXKSVMSANH-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-4-(trifluoromethyl)cyclohexan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 3-methyl-4-(trifluoromethyl)cyclohexan-1-amine (CID 89074112) is 3-methyl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 3-methyl-4-(trifluoromethyl)cyclohexan-1-amine is CC1CC(N)CCC1C(F)(F)F.
What is the InChIKey of 3-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is OPJTWXKSVMSANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-5-4-6(12)2-3-7(5)8(9,10)11/h5-7H,2-4,12H2,1H3.
What are the key properties of 3-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
3-methyl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 181.20 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 89074112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).