1-cyano-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide

C10H14F2N2O — CID 79079457

IUPAC1-cyano-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCC(F)F)CCCCC1
InChIInChI=1S/C10H14F2N2O/c11-8(12)6-14-9(15)10(7-13)4-2-1-3-5-10/h8H,1-6H2,(H,14,15)
InChIKeyQDKFYEZIMQHHDD-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.84
Rot. Bonds3

About 1-cyano-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide

1-cyano-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide (PubChem CID 79079457) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-cyano-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
PubChem CID79079457
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name1-cyano-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCC(F)F)CCCCC1
InChIInChI=1S/C10H14F2N2O/c11-8(12)6-14-9(15)10(7-13)4-2-1-3-5-10/h8H,1-6H2,(H,14,15)
InChIKeyQDKFYEZIMQHHDD-UHFFFAOYSA-N
XLogP1.84
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyano-N-(2,2-difluoroethyl)cyclohexane-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 1-cyano-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide (CID 79079457) is 1-cyano-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide is N#CC1(C(=O)NCC(F)F)CCCCC1.
What is the InChIKey of 1-cyano-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is QDKFYEZIMQHHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c11-8(12)6-14-9(15)10(7-13)4-2-1-3-5-10/h8H,1-6H2,(H,14,15).
What are the key properties of 1-cyano-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide?
1-cyano-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 216.23 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79079457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).