4-(difluoromethylidene)cyclohexan-1-amine

C7H11F2N — CID 118601276

IUPAC4-(difluoromethylidene)cyclohexan-1-amine
SMILESNC1CCC(=C(F)F)CC1
InChIInChI=1S/C7H11F2N/c8-7(9)5-1-3-6(10)4-2-5/h6H,1-4,10H2
InChIKeyAKIKJVASSDYYGA-UHFFFAOYSA-N
MW147.17 g/mol
LogP2.04
Rot. Bonds

About 4-(difluoromethylidene)cyclohexan-1-amine

4-(difluoromethylidene)cyclohexan-1-amine (PubChem CID 118601276) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 4-(difluoromethylidene)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(difluoromethylidene)cyclohexan-1-amine
PubChem CID118601276
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name4-(difluoromethylidene)cyclohexan-1-amine
SMILESNC1CCC(=C(F)F)CC1
InChIInChI=1S/C7H11F2N/c8-7(9)5-1-3-6(10)4-2-5/h6H,1-4,10H2
InChIKeyAKIKJVASSDYYGA-UHFFFAOYSA-N
XLogP2.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(difluoromethylidene)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 4-(difluoromethylidene)cyclohexan-1-amine?
The IUPAC name of 4-(difluoromethylidene)cyclohexan-1-amine (CID 118601276) is 4-(difluoromethylidene)cyclohexan-1-amine.
What is the SMILES notation for 4-(difluoromethylidene)cyclohexan-1-amine?
The canonical SMILES for 4-(difluoromethylidene)cyclohexan-1-amine is NC1CCC(=C(F)F)CC1.
What is the InChIKey of 4-(difluoromethylidene)cyclohexan-1-amine?
The InChIKey is AKIKJVASSDYYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c8-7(9)5-1-3-6(10)4-2-5/h6H,1-4,10H2.
What are the key properties of 4-(difluoromethylidene)cyclohexan-1-amine?
4-(difluoromethylidene)cyclohexan-1-amine has a molecular weight of 147.17 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)cyclohexan-1-amine is sourced from PubChem (CID 118601276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).