2,2-difluoroethenyl diethyl phosphate

C6H11F2O4P — CID 12652589

IUPAC2,2-difluoroethenyl diethyl phosphate
SMILESCCOP(=O)(OC=C(F)F)OCC
InChIInChI=1S/C6H11F2O4P/c1-3-10-13(9,11-4-2)12-5-6(7)8/h5H,3-4H2,1-2H3
InChIKeyLKVARFPAPOFIIN-UHFFFAOYSA-N
MW216.12 g/mol
LogP2.92
Rot. Bonds6

About 2,2-difluoroethenyl diethyl phosphate

2,2-difluoroethenyl diethyl phosphate (PubChem CID 12652589) has the molecular formula C6H11F2O4P and a molecular weight of 216.12 g/mol. Its IUPAC name is 2,2-difluoroethenyl diethyl phosphate.

Molecular Properties

Compound Name2,2-difluoroethenyl diethyl phosphate
PubChem CID12652589
Molecular FormulaC6H11F2O4P
Molecular Weight216.12 g/mol
Exact Mass216.04
IUPAC Name2,2-difluoroethenyl diethyl phosphate
SMILESCCOP(=O)(OC=C(F)F)OCC
InChIInChI=1S/C6H11F2O4P/c1-3-10-13(9,11-4-2)12-5-6(7)8/h5H,3-4H2,1-2H3
InChIKeyLKVARFPAPOFIIN-UHFFFAOYSA-N
XLogP2.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 52.92
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethenyl diethyl phosphate?
The IUPAC name of 2,2-difluoroethenyl diethyl phosphate (CID 12652589) is 2,2-difluoroethenyl diethyl phosphate.
What is the SMILES notation for 2,2-difluoroethenyl diethyl phosphate?
The canonical SMILES for 2,2-difluoroethenyl diethyl phosphate is CCOP(=O)(OC=C(F)F)OCC.
What is the InChIKey of 2,2-difluoroethenyl diethyl phosphate?
The InChIKey is LKVARFPAPOFIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2O4P/c1-3-10-13(9,11-4-2)12-5-6(7)8/h5H,3-4H2,1-2H3.
What are the key properties of 2,2-difluoroethenyl diethyl phosphate?
2,2-difluoroethenyl diethyl phosphate has a molecular weight of 216.12 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethenyl diethyl phosphate is sourced from PubChem (CID 12652589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).