2,2-difluoroethyl dihydrogen phosphate

C2H5F2O4P — CID 88950660

IUPAC2,2-difluoroethyl dihydrogen phosphate
SMILESO=P(O)(O)OCC(F)F
InChIInChI=1S/C2H5F2O4P/c3-2(4)1-8-9(5,6)7/h2H,1H2,(H2,5,6,7)
InChIKeyIXDZBNBCCSSVLR-UHFFFAOYSA-N
MW162.03 g/mol
LogP0.36
Rot. Bonds3

About 2,2-difluoroethyl dihydrogen phosphate

2,2-difluoroethyl dihydrogen phosphate (PubChem CID 88950660) has the molecular formula C2H5F2O4P and a molecular weight of 162.03 g/mol. Its IUPAC name is 2,2-difluoroethyl dihydrogen phosphate.

Molecular Properties

Compound Name2,2-difluoroethyl dihydrogen phosphate
PubChem CID88950660
Molecular FormulaC2H5F2O4P
Molecular Weight162.03 g/mol
Exact Mass161.99
IUPAC Name2,2-difluoroethyl dihydrogen phosphate
SMILESO=P(O)(O)OCC(F)F
InChIInChI=1S/C2H5F2O4P/c3-2(4)1-8-9(5,6)7/h2H,1H2,(H2,5,6,7)
InChIKeyIXDZBNBCCSSVLR-UHFFFAOYSA-N
XLogP0.36
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.03
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl dihydrogen phosphate?
The IUPAC name of 2,2-difluoroethyl dihydrogen phosphate (CID 88950660) is 2,2-difluoroethyl dihydrogen phosphate.
What is the SMILES notation for 2,2-difluoroethyl dihydrogen phosphate?
The canonical SMILES for 2,2-difluoroethyl dihydrogen phosphate is O=P(O)(O)OCC(F)F.
What is the InChIKey of 2,2-difluoroethyl dihydrogen phosphate?
The InChIKey is IXDZBNBCCSSVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F2O4P/c3-2(4)1-8-9(5,6)7/h2H,1H2,(H2,5,6,7).
What are the key properties of 2,2-difluoroethyl dihydrogen phosphate?
2,2-difluoroethyl dihydrogen phosphate has a molecular weight of 162.03 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl dihydrogen phosphate is sourced from PubChem (CID 88950660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).