2-chloro-N-(2,2-difluoroethyl)cyclohexan-1-amine

C8H14ClF2N — CID 65025897

IUPAC2-chloro-N-(2,2-difluoroethyl)cyclohexan-1-amine
SMILESFC(F)CNC1CCCCC1Cl
InChIInChI=1S/C8H14ClF2N/c9-6-3-1-2-4-7(6)12-5-8(10)11/h6-8,12H,1-5H2
InChIKeyQGWSUUOJHJGULR-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.39
Rot. Bonds3

About 2-chloro-N-(2,2-difluoroethyl)cyclohexan-1-amine

2-chloro-N-(2,2-difluoroethyl)cyclohexan-1-amine (PubChem CID 65025897) has the molecular formula C8H14ClF2N and a molecular weight of 197.66 g/mol. Its IUPAC name is 2-chloro-N-(2,2-difluoroethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2-difluoroethyl)cyclohexan-1-amine
PubChem CID65025897
Molecular FormulaC8H14ClF2N
Molecular Weight197.66 g/mol
Exact Mass197.08
IUPAC Name2-chloro-N-(2,2-difluoroethyl)cyclohexan-1-amine
SMILESFC(F)CNC1CCCCC1Cl
InChIInChI=1S/C8H14ClF2N/c9-6-3-1-2-4-7(6)12-5-8(10)11/h6-8,12H,1-5H2
InChIKeyQGWSUUOJHJGULR-UHFFFAOYSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2,2-difluoroethyl)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 2-chloro-N-(2,2-difluoroethyl)cyclohexan-1-amine?
The IUPAC name of 2-chloro-N-(2,2-difluoroethyl)cyclohexan-1-amine (CID 65025897) is 2-chloro-N-(2,2-difluoroethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-(2,2-difluoroethyl)cyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-(2,2-difluoroethyl)cyclohexan-1-amine is FC(F)CNC1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-(2,2-difluoroethyl)cyclohexan-1-amine?
The InChIKey is QGWSUUOJHJGULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClF2N/c9-6-3-1-2-4-7(6)12-5-8(10)11/h6-8,12H,1-5H2.
What are the key properties of 2-chloro-N-(2,2-difluoroethyl)cyclohexan-1-amine?
2-chloro-N-(2,2-difluoroethyl)cyclohexan-1-amine has a molecular weight of 197.66 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-difluoroethyl)cyclohexan-1-amine is sourced from PubChem (CID 65025897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).