ethyl difluoro phosphate

C2H5F2O4P — CID 20507473

IUPACethyl difluoro phosphate
SMILESCCOP(=O)(OF)OF
InChIInChI=1S/C2H5F2O4P/c1-2-6-9(5,7-3)8-4/h2H2,1H3
InChIKeyBDUMDVMMYXIRSI-UHFFFAOYSA-N
MW162.03 g/mol
LogP1.93
Rot. Bonds4

About ethyl difluoro phosphate

ethyl difluoro phosphate (PubChem CID 20507473) has the molecular formula C2H5F2O4P and a molecular weight of 162.03 g/mol. Its IUPAC name is ethyl difluoro phosphate.

Molecular Properties

Compound Nameethyl difluoro phosphate
PubChem CID20507473
Molecular FormulaC2H5F2O4P
Molecular Weight162.03 g/mol
Exact Mass161.99
IUPAC Nameethyl difluoro phosphate
SMILESCCOP(=O)(OF)OF
InChIInChI=1S/C2H5F2O4P/c1-2-6-9(5,7-3)8-4/h2H2,1H3
InChIKeyBDUMDVMMYXIRSI-UHFFFAOYSA-N
XLogP1.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.03
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl difluoro phosphate?
The IUPAC name of ethyl difluoro phosphate (CID 20507473) is ethyl difluoro phosphate.
What is the SMILES notation for ethyl difluoro phosphate?
The canonical SMILES for ethyl difluoro phosphate is CCOP(=O)(OF)OF.
What is the InChIKey of ethyl difluoro phosphate?
The InChIKey is BDUMDVMMYXIRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F2O4P/c1-2-6-9(5,7-3)8-4/h2H2,1H3.
What are the key properties of ethyl difluoro phosphate?
ethyl difluoro phosphate has a molecular weight of 162.03 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl difluoro phosphate is sourced from PubChem (CID 20507473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).