N-(1-cyano-4-methylcyclohexyl)-2,2-difluoroacetamide

C10H14F2N2O — CID 103513729

IUPACN-(1-cyano-4-methylcyclohexyl)-2,2-difluoroacetamide
SMILESCC1CCC(C#N)(NC(=O)C(F)F)CC1
InChIInChI=1S/C10H14F2N2O/c1-7-2-4-10(6-13,5-3-7)14-9(15)8(11)12/h7-8H,2-5H2,1H3,(H,14,15)
InChIKeyIGDXFYKXAXHDBF-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.84
Rot. Bonds2

About N-(1-cyano-4-methylcyclohexyl)-2,2-difluoroacetamide

N-(1-cyano-4-methylcyclohexyl)-2,2-difluoroacetamide (PubChem CID 103513729) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)-2,2-difluoroacetamide
PubChem CID103513729
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC NameN-(1-cyano-4-methylcyclohexyl)-2,2-difluoroacetamide
SMILESCC1CCC(C#N)(NC(=O)C(F)F)CC1
InChIInChI=1S/C10H14F2N2O/c1-7-2-4-10(6-13,5-3-7)14-9(15)8(11)12/h7-8H,2-5H2,1H3,(H,14,15)
InChIKeyIGDXFYKXAXHDBF-UHFFFAOYSA-N
XLogP1.84
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-methylcyclohexyl)-2,2-difluoroacetamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)-2,2-difluoroacetamide (CID 103513729) is N-(1-cyano-4-methylcyclohexyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)-2,2-difluoroacetamide is CC1CCC(C#N)(NC(=O)C(F)F)CC1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)-2,2-difluoroacetamide?
The InChIKey is IGDXFYKXAXHDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-7-2-4-10(6-13,5-3-7)14-9(15)8(11)12/h7-8H,2-5H2,1H3,(H,14,15).
What are the key properties of N-(1-cyano-4-methylcyclohexyl)-2,2-difluoroacetamide?
N-(1-cyano-4-methylcyclohexyl)-2,2-difluoroacetamide has a molecular weight of 216.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-methylcyclohexyl)-2,2-difluoroacetamide is sourced from PubChem (CID 103513729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).