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

C12H18F2N2O2 — CID 107479514

IUPAC1-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)N(CCO)CC(F)F)CCCCC1
InChIInChI=1S/C12H18F2N2O2/c13-10(14)8-16(6-7-17)11(18)12(9-15)4-2-1-3-5-12/h10,17H,1-8H2
InChIKeyLSZZYNAEDXJRPJ-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.55
Rot. Bonds5

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

1-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide (PubChem CID 107479514) has the molecular formula C12H18F2N2O2 and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
PubChem CID107479514
Molecular FormulaC12H18F2N2O2
Molecular Weight260.28 g/mol
Exact Mass260.13
IUPAC Name1-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)N(CCO)CC(F)F)CCCCC1
InChIInChI=1S/C12H18F2N2O2/c13-10(14)8-16(6-7-17)11(18)12(9-15)4-2-1-3-5-12/h10,17H,1-8H2
InChIKeyLSZZYNAEDXJRPJ-UHFFFAOYSA-N
XLogP1.55
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide (CID 107479514) is 1-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide is N#CC1(C(=O)N(CCO)CC(F)F)CCCCC1.
What is the InChIKey of 1-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The InChIKey is LSZZYNAEDXJRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2/c13-10(14)8-16(6-7-17)11(18)12(9-15)4-2-1-3-5-12/h10,17H,1-8H2.
What are the key properties of 1-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
1-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide has a molecular weight of 260.28 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107479514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).