4,4-difluorobutanehydrazide

C4H8F2N2O — CID 53484317

IUPAC4,4-difluorobutanehydrazide
SMILESNNC(=O)CCC(F)F
InChIInChI=1S/C4H8F2N2O/c5-3(6)1-2-4(9)8-7/h3H,1-2,7H2,(H,8,9)
InChIKeyBHOFQCANJNRNSU-UHFFFAOYSA-N
MW138.12 g/mol
LogP0.02
Rot. Bonds3

About 4,4-difluorobutanehydrazide

4,4-difluorobutanehydrazide (PubChem CID 53484317) has the molecular formula C4H8F2N2O and a molecular weight of 138.12 g/mol. Its IUPAC name is 4,4-difluorobutanehydrazide.

Molecular Properties

Compound Name4,4-difluorobutanehydrazide
PubChem CID53484317
Molecular FormulaC4H8F2N2O
Molecular Weight138.12 g/mol
Exact Mass138.06
IUPAC Name4,4-difluorobutanehydrazide
SMILESNNC(=O)CCC(F)F
InChIInChI=1S/C4H8F2N2O/c5-3(6)1-2-4(9)8-7/h3H,1-2,7H2,(H,8,9)
InChIKeyBHOFQCANJNRNSU-UHFFFAOYSA-N
XLogP0.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4,4-difluorobutanehydrazide 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 4,4-difluorobutanehydrazide?
The IUPAC name of 4,4-difluorobutanehydrazide (CID 53484317) is 4,4-difluorobutanehydrazide.
What is the SMILES notation for 4,4-difluorobutanehydrazide?
The canonical SMILES for 4,4-difluorobutanehydrazide is NNC(=O)CCC(F)F.
What is the InChIKey of 4,4-difluorobutanehydrazide?
The InChIKey is BHOFQCANJNRNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2O/c5-3(6)1-2-4(9)8-7/h3H,1-2,7H2,(H,8,9).
What are the key properties of 4,4-difluorobutanehydrazide?
4,4-difluorobutanehydrazide has a molecular weight of 138.12 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluorobutanehydrazide is sourced from PubChem (CID 53484317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).