2-cyano-N-[1-(difluoromethyl)cyclohexyl]acetamide

C10H14F2N2O — CID 126793329

IUPAC2-cyano-N-[1-(difluoromethyl)cyclohexyl]acetamide
SMILESN#CCC(=O)NC1(C(F)F)CCCCC1
InChIInChI=1S/C10H14F2N2O/c11-9(12)10(5-2-1-3-6-10)14-8(15)4-7-13/h9H,1-6H2,(H,14,15)
InChIKeyHJAFCJZHWXKVRP-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.98
Rot. Bonds3

About 2-cyano-N-[1-(difluoromethyl)cyclohexyl]acetamide

2-cyano-N-[1-(difluoromethyl)cyclohexyl]acetamide (PubChem CID 126793329) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-cyano-N-[1-(difluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[1-(difluoromethyl)cyclohexyl]acetamide
PubChem CID126793329
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name2-cyano-N-[1-(difluoromethyl)cyclohexyl]acetamide
SMILESN#CCC(=O)NC1(C(F)F)CCCCC1
InChIInChI=1S/C10H14F2N2O/c11-9(12)10(5-2-1-3-6-10)14-8(15)4-7-13/h9H,1-6H2,(H,14,15)
InChIKeyHJAFCJZHWXKVRP-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Acetamide, N-(1-cyanocyclohexyl)-
CID 199610
N-(4,4-difluoro-1-methylcyclohexyl)acetamide
CID 89274919
N-(1-cyanocyclopropyl)-4,4-difluorocyclohexane-1-carboxamide
CID 118309341
N-(1-cyanocycloheptyl)-3,3,3-trifluoropropanamide
CID 54904451
N-(1-cyanocyclooctyl)-3,3,3-trifluoropropanamide
CID 54904748
N-(1-cyano-4-methylcyclohexyl)-2,2,2-trifluoroacetamide
CID 55138729
N-(1-cyanocycloheptyl)-2,2,2-trifluoroacetamide
CID 55138929
N-(1-cyanocyclopentyl)-3,3,3-trifluoropropanamide
CID 60731314
N-(1-cyanocyclohexyl)-3,3,3-trifluoropropanamide
CID 60731336
N-(1-cyano-4-ethylcyclohexyl)-3,3,3-trifluoropropanamide
CID 61118959
N-(1-cyanocyclopentyl)-2,2,2-trifluoroacetamide
CID 61119522
N-(1-cyano-4-methylcyclohexyl)-3,3,3-trifluoropropanamide
CID 61119734

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(difluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-cyano-N-[1-(difluoromethyl)cyclohexyl]acetamide (CID 126793329) is 2-cyano-N-[1-(difluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-cyano-N-[1-(difluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-cyano-N-[1-(difluoromethyl)cyclohexyl]acetamide is N#CCC(=O)NC1(C(F)F)CCCCC1.
What is the InChIKey of 2-cyano-N-[1-(difluoromethyl)cyclohexyl]acetamide?
The InChIKey is HJAFCJZHWXKVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c11-9(12)10(5-2-1-3-6-10)14-8(15)4-7-13/h9H,1-6H2,(H,14,15).
What are the key properties of 2-cyano-N-[1-(difluoromethyl)cyclohexyl]acetamide?
2-cyano-N-[1-(difluoromethyl)cyclohexyl]acetamide has a molecular weight of 216.23 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(difluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 126793329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).