N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine

C8H12F3N — CID 89073810

IUPACN-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine
SMILESCNC1C=C(C(F)(F)F)CCC1
InChIInChI=1S/C8H12F3N/c1-12-7-4-2-3-6(5-7)8(9,10)11/h5,7,12H,2-4H2,1H3
InChIKeyNIHDTZRKCHSYRF-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.25
Rot. Bonds1

About N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine

N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine (PubChem CID 89073810) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine
PubChem CID89073810
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC NameN-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine
SMILESCNC1C=C(C(F)(F)F)CCC1
InChIInChI=1S/C8H12F3N/c1-12-7-4-2-3-6(5-7)8(9,10)11/h5,7,12H,2-4H2,1H3
InChIKeyNIHDTZRKCHSYRF-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-methyl-3-(trifluoromethyl)cyclohex-2-en-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 N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine?
The IUPAC name of N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine (CID 89073810) is N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine is CNC1C=C(C(F)(F)F)CCC1.
What is the InChIKey of N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine?
The InChIKey is NIHDTZRKCHSYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-12-7-4-2-3-6(5-7)8(9,10)11/h5,7,12H,2-4H2,1H3.
What are the key properties of N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine?
N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine has a molecular weight of 179.19 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 89073810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).