2,2-difluoroethenyl dimethyl phosphate

C4H7F2O4P — CID 21390679

IUPAC2,2-difluoroethenyl dimethyl phosphate
SMILESCOP(=O)(OC)OC=C(F)F
InChIInChI=1S/C4H7F2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3
InChIKeyNSTQOCCPLZNKDV-UHFFFAOYSA-N
MW188.07 g/mol
LogP2.14
Rot. Bonds4

About 2,2-difluoroethenyl dimethyl phosphate

2,2-difluoroethenyl dimethyl phosphate (PubChem CID 21390679) has the molecular formula C4H7F2O4P and a molecular weight of 188.07 g/mol. Its IUPAC name is 2,2-difluoroethenyl dimethyl phosphate.

Molecular Properties

Compound Name2,2-difluoroethenyl dimethyl phosphate
PubChem CID21390679
Molecular FormulaC4H7F2O4P
Molecular Weight188.07 g/mol
Exact Mass188.01
IUPAC Name2,2-difluoroethenyl dimethyl phosphate
SMILESCOP(=O)(OC)OC=C(F)F
InChIInChI=1S/C4H7F2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3
InChIKeyNSTQOCCPLZNKDV-UHFFFAOYSA-N
XLogP2.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2,2-difluoroethenyl dimethyl phosphate 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 2,2-difluoroethenyl dimethyl phosphate?
The IUPAC name of 2,2-difluoroethenyl dimethyl phosphate (CID 21390679) is 2,2-difluoroethenyl dimethyl phosphate.
What is the SMILES notation for 2,2-difluoroethenyl dimethyl phosphate?
The canonical SMILES for 2,2-difluoroethenyl dimethyl phosphate is COP(=O)(OC)OC=C(F)F.
What is the InChIKey of 2,2-difluoroethenyl dimethyl phosphate?
The InChIKey is NSTQOCCPLZNKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3.
What are the key properties of 2,2-difluoroethenyl dimethyl phosphate?
2,2-difluoroethenyl dimethyl phosphate has a molecular weight of 188.07 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethenyl dimethyl phosphate is sourced from PubChem (CID 21390679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).