N-(1-cyanobutyl)-2,2-difluoroacetamide

C7H10F2N2O — CID 103513726

IUPACN-(1-cyanobutyl)-2,2-difluoroacetamide
SMILESCCCC(C#N)NC(=O)C(F)F
InChIInChI=1S/C7H10F2N2O/c1-2-3-5(4-10)11-7(12)6(8)9/h5-6H,2-3H2,1H3,(H,11,12)
InChIKeyQGFXLLAOYBJIDN-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.06
Rot. Bonds4

About N-(1-cyanobutyl)-2,2-difluoroacetamide

N-(1-cyanobutyl)-2,2-difluoroacetamide (PubChem CID 103513726) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is N-(1-cyanobutyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-2,2-difluoroacetamide
PubChem CID103513726
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC NameN-(1-cyanobutyl)-2,2-difluoroacetamide
SMILESCCCC(C#N)NC(=O)C(F)F
InChIInChI=1S/C7H10F2N2O/c1-2-3-5(4-10)11-7(12)6(8)9/h5-6H,2-3H2,1H3,(H,11,12)
InChIKeyQGFXLLAOYBJIDN-UHFFFAOYSA-N
XLogP1.06
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-2,2-difluoroacetamide?
The IUPAC name of N-(1-cyanobutyl)-2,2-difluoroacetamide (CID 103513726) is N-(1-cyanobutyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(1-cyanobutyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(1-cyanobutyl)-2,2-difluoroacetamide is CCCC(C#N)NC(=O)C(F)F.
What is the InChIKey of N-(1-cyanobutyl)-2,2-difluoroacetamide?
The InChIKey is QGFXLLAOYBJIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-2-3-5(4-10)11-7(12)6(8)9/h5-6H,2-3H2,1H3,(H,11,12).
What are the key properties of N-(1-cyanobutyl)-2,2-difluoroacetamide?
N-(1-cyanobutyl)-2,2-difluoroacetamide has a molecular weight of 176.17 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-2,2-difluoroacetamide is sourced from PubChem (CID 103513726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).