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

C5H6F2N2O — CID 103513724

IUPACN-(1-cyanoethyl)-2,2-difluoroacetamide
SMILESCC(C#N)NC(=O)C(F)F
InChIInChI=1S/C5H6F2N2O/c1-3(2-8)9-5(10)4(6)7/h3-4H,1H3,(H,9,10)
InChIKeyJCSDRMBIXXHLFH-UHFFFAOYSA-N
MW148.11 g/mol
LogP0.28
Rot. Bonds2

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

N-(1-cyanoethyl)-2,2-difluoroacetamide (PubChem CID 103513724) has the molecular formula C5H6F2N2O and a molecular weight of 148.11 g/mol. Its IUPAC name is N-(1-cyanoethyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-2,2-difluoroacetamide
PubChem CID103513724
Molecular FormulaC5H6F2N2O
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC NameN-(1-cyanoethyl)-2,2-difluoroacetamide
SMILESCC(C#N)NC(=O)C(F)F
InChIInChI=1S/C5H6F2N2O/c1-3(2-8)9-5(10)4(6)7/h3-4H,1H3,(H,9,10)
InChIKeyJCSDRMBIXXHLFH-UHFFFAOYSA-N
XLogP0.28
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-2,2-difluoroacetamide?
The IUPAC name of N-(1-cyanoethyl)-2,2-difluoroacetamide (CID 103513724) is N-(1-cyanoethyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(1-cyanoethyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(1-cyanoethyl)-2,2-difluoroacetamide is CC(C#N)NC(=O)C(F)F.
What is the InChIKey of N-(1-cyanoethyl)-2,2-difluoroacetamide?
The InChIKey is JCSDRMBIXXHLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2O/c1-3(2-8)9-5(10)4(6)7/h3-4H,1H3,(H,9,10).
What are the key properties of N-(1-cyanoethyl)-2,2-difluoroacetamide?
N-(1-cyanoethyl)-2,2-difluoroacetamide has a molecular weight of 148.11 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-2,2-difluoroacetamide is sourced from PubChem (CID 103513724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).