N-(4,4-difluorocyclohexyl)-4-methylcyclohexane-1-carboxamide

C14H23F2NO — CID 141160507

IUPACN-(4,4-difluorocyclohexyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC2CCC(F)(F)CC2)CC1
InChIInChI=1S/C14H23F2NO/c1-10-2-4-11(5-3-10)13(18)17-12-6-8-14(15,16)9-7-12/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyPGIWBTJMCPRTDV-UHFFFAOYSA-N
MW259.34 g/mol
LogP3.51
Rot. Bonds2

About N-(4,4-difluorocyclohexyl)-4-methylcyclohexane-1-carboxamide

N-(4,4-difluorocyclohexyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 141160507) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-4-methylcyclohexane-1-carboxamide
PubChem CID141160507
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC NameN-(4,4-difluorocyclohexyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC2CCC(F)(F)CC2)CC1
InChIInChI=1S/C14H23F2NO/c1-10-2-4-11(5-3-10)13(18)17-12-6-8-14(15,16)9-7-12/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyPGIWBTJMCPRTDV-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4,4-difluorocyclohexyl)-4-methylcyclohexane-1-carboxamide 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-(4,4-difluorocyclohexyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-4-methylcyclohexane-1-carboxamide (CID 141160507) is N-(4,4-difluorocyclohexyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NC2CCC(F)(F)CC2)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is PGIWBTJMCPRTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c1-10-2-4-11(5-3-10)13(18)17-12-6-8-14(15,16)9-7-12/h10-12H,2-9H2,1H3,(H,17,18).
What are the key properties of N-(4,4-difluorocyclohexyl)-4-methylcyclohexane-1-carboxamide?
N-(4,4-difluorocyclohexyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 259.34 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 141160507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).