1-cyano-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C11H15F3N2O — CID 61461375

IUPAC1-cyano-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C11H15F3N2O/c1-16(8-11(12,13)14)9(17)10(7-15)5-3-2-4-6-10/h2-6,8H2,1H3
InChIKeyKMHCRTLGIRFCGQ-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.48
Rot. Bonds2

About 1-cyano-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

1-cyano-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 61461375) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID61461375
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name1-cyano-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C11H15F3N2O/c1-16(8-11(12,13)14)9(17)10(7-15)5-3-2-4-6-10/h2-6,8H2,1H3
InChIKeyKMHCRTLGIRFCGQ-UHFFFAOYSA-N
XLogP2.48
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-methyl-N-propylcycloheptane-1-carboxamide
CID 55207638
1-cyano-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 115759979
1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide
CID 80593205
1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide
CID 105417788
1-cyano-N-(cyclobutylmethyl)-N-methylcyclohexane-1-carboxamide
CID 62862228
1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide
CID 105417802
1-cyano-N-(2-methoxyethyl)-N-methylcyclohexane-1-carboxamide
CID 61461914
1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide
CID 62862227
1-cyano-N-(5-hydroxypentyl)-N-methylcycloheptane-1-carboxamide
CID 107199530
1-cyano-N,N-diethylcyclohexane-1-carboxamide
CID 61459029
1-cyano-N,N-diethylcyclopentane-1-carboxamide
CID 60678242
1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 56828911

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 61461375) is 1-cyano-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CN(CC(F)(F)F)C(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is KMHCRTLGIRFCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-16(8-11(12,13)14)9(17)10(7-15)5-3-2-4-6-10/h2-6,8H2,1H3.
What are the key properties of 1-cyano-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
1-cyano-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 248.25 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 61461375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).