1-difluorophosphoryloxy-1-fluoroethane

C2H4F3O2P — CID 87222052

IUPAC1-difluorophosphoryloxy-1-fluoroethane
SMILESCC(F)OP(=O)(F)F
InChIInChI=1S/C2H4F3O2P/c1-2(3)7-8(4,5)6/h2H,1H3
InChIKeyVETXNWJBOSWLHF-UHFFFAOYSA-N
MW148.02 g/mol
LogP2.37
Rot. Bonds2

About 1-difluorophosphoryloxy-1-fluoroethane

1-difluorophosphoryloxy-1-fluoroethane (PubChem CID 87222052) has the molecular formula C2H4F3O2P and a molecular weight of 148.02 g/mol. Its IUPAC name is 1-difluorophosphoryloxy-1-fluoroethane.

Molecular Properties

Compound Name1-difluorophosphoryloxy-1-fluoroethane
PubChem CID87222052
Molecular FormulaC2H4F3O2P
Molecular Weight148.02 g/mol
Exact Mass147.99
IUPAC Name1-difluorophosphoryloxy-1-fluoroethane
SMILESCC(F)OP(=O)(F)F
InChIInChI=1S/C2H4F3O2P/c1-2(3)7-8(4,5)6/h2H,1H3
InChIKeyVETXNWJBOSWLHF-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.02
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-difluorophosphoryloxy-1-fluoroethane 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-difluorophosphoryloxy-1-fluoroethane?
The IUPAC name of 1-difluorophosphoryloxy-1-fluoroethane (CID 87222052) is 1-difluorophosphoryloxy-1-fluoroethane.
What is the SMILES notation for 1-difluorophosphoryloxy-1-fluoroethane?
The canonical SMILES for 1-difluorophosphoryloxy-1-fluoroethane is CC(F)OP(=O)(F)F.
What is the InChIKey of 1-difluorophosphoryloxy-1-fluoroethane?
The InChIKey is VETXNWJBOSWLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F3O2P/c1-2(3)7-8(4,5)6/h2H,1H3.
What are the key properties of 1-difluorophosphoryloxy-1-fluoroethane?
1-difluorophosphoryloxy-1-fluoroethane has a molecular weight of 148.02 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-difluorophosphoryloxy-1-fluoroethane is sourced from PubChem (CID 87222052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).