1,1-difluoroethylphosphonic acid

C2H5F2O3P — CID 23183684

IUPAC1,1-difluoroethylphosphonic acid
SMILESCC(F)(F)P(=O)(O)O
InChIInChI=1S/C2H5F2O3P/c1-2(3,4)8(5,6)7/h1H3,(H2,5,6,7)
InChIKeyWRLOWLWINFMFSN-UHFFFAOYSA-N
MW146.03 g/mol
LogP0.78
Rot. Bonds1

About 1,1-difluoroethylphosphonic acid

1,1-difluoroethylphosphonic acid (PubChem CID 23183684) has the molecular formula C2H5F2O3P and a molecular weight of 146.03 g/mol. Its IUPAC name is 1,1-difluoroethylphosphonic acid.

Molecular Properties

Compound Name1,1-difluoroethylphosphonic acid
PubChem CID23183684
Molecular FormulaC2H5F2O3P
Molecular Weight146.03 g/mol
Exact Mass145.99
IUPAC Name1,1-difluoroethylphosphonic acid
SMILESCC(F)(F)P(=O)(O)O
InChIInChI=1S/C2H5F2O3P/c1-2(3,4)8(5,6)7/h1H3,(H2,5,6,7)
InChIKeyWRLOWLWINFMFSN-UHFFFAOYSA-N
XLogP0.78
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.03
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1-difluoroethylphosphonic acid 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 1,1-difluoroethylphosphonic acid?
The IUPAC name of 1,1-difluoroethylphosphonic acid (CID 23183684) is 1,1-difluoroethylphosphonic acid.
What is the SMILES notation for 1,1-difluoroethylphosphonic acid?
The canonical SMILES for 1,1-difluoroethylphosphonic acid is CC(F)(F)P(=O)(O)O.
What is the InChIKey of 1,1-difluoroethylphosphonic acid?
The InChIKey is WRLOWLWINFMFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F2O3P/c1-2(3,4)8(5,6)7/h1H3,(H2,5,6,7).
What are the key properties of 1,1-difluoroethylphosphonic acid?
1,1-difluoroethylphosphonic acid has a molecular weight of 146.03 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethylphosphonic acid is sourced from PubChem (CID 23183684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).