4-cyclohexyl-2,6-difluoroaniline

C12H15F2N — CID 125450024

IUPAC4-cyclohexyl-2,6-difluoroaniline
SMILESNc1c(F)cc(C2CCCCC2)cc1F
InChIInChI=1S/C12H15F2N/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h6-8H,1-5,15H2
InChIKeyQCJBSULUPFKXKH-UHFFFAOYSA-N
MW211.25 g/mol
LogP3.59
Rot. Bonds1

About 4-cyclohexyl-2,6-difluoroaniline

4-cyclohexyl-2,6-difluoroaniline (PubChem CID 125450024) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 4-cyclohexyl-2,6-difluoroaniline.

Molecular Properties

Compound Name4-cyclohexyl-2,6-difluoroaniline
PubChem CID125450024
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name4-cyclohexyl-2,6-difluoroaniline
SMILESNc1c(F)cc(C2CCCCC2)cc1F
InChIInChI=1S/C12H15F2N/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h6-8H,1-5,15H2
InChIKeyQCJBSULUPFKXKH-UHFFFAOYSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-cyclohexyl-2,6-difluoroaniline 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 4-cyclohexyl-2,6-difluoroaniline?
The IUPAC name of 4-cyclohexyl-2,6-difluoroaniline (CID 125450024) is 4-cyclohexyl-2,6-difluoroaniline.
What is the SMILES notation for 4-cyclohexyl-2,6-difluoroaniline?
The canonical SMILES for 4-cyclohexyl-2,6-difluoroaniline is Nc1c(F)cc(C2CCCCC2)cc1F.
What is the InChIKey of 4-cyclohexyl-2,6-difluoroaniline?
The InChIKey is QCJBSULUPFKXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h6-8H,1-5,15H2.
What are the key properties of 4-cyclohexyl-2,6-difluoroaniline?
4-cyclohexyl-2,6-difluoroaniline has a molecular weight of 211.25 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2,6-difluoroaniline is sourced from PubChem (CID 125450024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).