4,4-difluorobutanimidamide

C4H8F2N2 — CID 84731068

IUPAC4,4-difluorobutanimidamide
SMILES[H]/N=C(\N)CCC(F)F
InChIInChI=1S/C4H8F2N2/c5-3(6)1-2-4(7)8/h3H,1-2H2,(H3,7,8)
InChIKeyPFVRUKAXWQLRNO-UHFFFAOYSA-N
MW122.12 g/mol
LogP0.97
Rot. Bonds3

About 4,4-difluorobutanimidamide

4,4-difluorobutanimidamide (PubChem CID 84731068) has the molecular formula C4H8F2N2 and a molecular weight of 122.12 g/mol. Its IUPAC name is 4,4-difluorobutanimidamide.

Molecular Properties

Compound Name4,4-difluorobutanimidamide
PubChem CID84731068
Molecular FormulaC4H8F2N2
Molecular Weight122.12 g/mol
Exact Mass122.07
IUPAC Name4,4-difluorobutanimidamide
SMILES[H]/N=C(\N)CCC(F)F
InChIInChI=1S/C4H8F2N2/c5-3(6)1-2-4(7)8/h3H,1-2H2,(H3,7,8)
InChIKeyPFVRUKAXWQLRNO-UHFFFAOYSA-N
XLogP0.97
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4,4-difluorobutanimidamide 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-difluorobutanimidamide?
The IUPAC name of 4,4-difluorobutanimidamide (CID 84731068) is 4,4-difluorobutanimidamide.
What is the SMILES notation for 4,4-difluorobutanimidamide?
The canonical SMILES for 4,4-difluorobutanimidamide is [H]/N=C(\N)CCC(F)F.
What is the InChIKey of 4,4-difluorobutanimidamide?
The InChIKey is PFVRUKAXWQLRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2/c5-3(6)1-2-4(7)8/h3H,1-2H2,(H3,7,8).
What are the key properties of 4,4-difluorobutanimidamide?
4,4-difluorobutanimidamide has a molecular weight of 122.12 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluorobutanimidamide is sourced from PubChem (CID 84731068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).