N-cyano-3,3-difluoropentanamide

C6H8F2N2O — CID 164651563

IUPACN-cyano-3,3-difluoropentanamide
SMILESCCC(F)(F)CC(=O)NC#N
InChIInChI=1S/C6H8F2N2O/c1-2-6(7,8)3-5(11)10-4-9/h2-3H2,1H3,(H,10,11)
InChIKeyZHSZGCJHZHCWHR-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.02
Rot. Bonds3

About N-cyano-3,3-difluoropentanamide

N-cyano-3,3-difluoropentanamide (PubChem CID 164651563) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is N-cyano-3,3-difluoropentanamide.

Molecular Properties

Compound NameN-cyano-3,3-difluoropentanamide
PubChem CID164651563
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC NameN-cyano-3,3-difluoropentanamide
SMILESCCC(F)(F)CC(=O)NC#N
InChIInChI=1S/C6H8F2N2O/c1-2-6(7,8)3-5(11)10-4-9/h2-3H2,1H3,(H,10,11)
InChIKeyZHSZGCJHZHCWHR-UHFFFAOYSA-N
XLogP1.02
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze N-cyano-3,3-difluoropentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyano-3,3-difluoropentanamide?
The IUPAC name of N-cyano-3,3-difluoropentanamide (CID 164651563) is N-cyano-3,3-difluoropentanamide.
What is the SMILES notation for N-cyano-3,3-difluoropentanamide?
The canonical SMILES for N-cyano-3,3-difluoropentanamide is CCC(F)(F)CC(=O)NC#N.
What is the InChIKey of N-cyano-3,3-difluoropentanamide?
The InChIKey is ZHSZGCJHZHCWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-2-6(7,8)3-5(11)10-4-9/h2-3H2,1H3,(H,10,11).
What are the key properties of N-cyano-3,3-difluoropentanamide?
N-cyano-3,3-difluoropentanamide has a molecular weight of 162.14 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-3,3-difluoropentanamide is sourced from PubChem (CID 164651563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).