N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylcyclohexane-1-carboxamide

C12H21F2NO2 — CID 107483138

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)N(CCO)CC(F)F)CCCCC1
InChIInChI=1S/C12H21F2NO2/c1-12(5-3-2-4-6-12)11(17)15(7-8-16)9-10(13)14/h10,16H,2-9H2,1H3
InChIKeyOGWJMRVXLHJQCX-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.04
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylcyclohexane-1-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylcyclohexane-1-carboxamide (PubChem CID 107483138) has the molecular formula C12H21F2NO2 and a molecular weight of 249.30 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylcyclohexane-1-carboxamide
PubChem CID107483138
Molecular FormulaC12H21F2NO2
Molecular Weight249.30 g/mol
Exact Mass249.15
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)N(CCO)CC(F)F)CCCCC1
InChIInChI=1S/C12H21F2NO2/c1-12(5-3-2-4-6-12)11(17)15(7-8-16)9-10(13)14/h10,16H,2-9H2,1H3
InChIKeyOGWJMRVXLHJQCX-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylcyclohexane-1-carboxamide (CID 107483138) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylcyclohexane-1-carboxamide is CC1(C(=O)N(CCO)CC(F)F)CCCCC1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is OGWJMRVXLHJQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO2/c1-12(5-3-2-4-6-12)11(17)15(7-8-16)9-10(13)14/h10,16H,2-9H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylcyclohexane-1-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 107483138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).