2,3-difluoropropyl difluoro phosphate

C3H5F4O4P — CID 87222011

IUPAC2,3-difluoropropyl difluoro phosphate
SMILESO=P(OF)(OF)OCC(F)CF
InChIInChI=1S/C3H5F4O4P/c4-1-3(5)2-9-12(8,10-6)11-7/h3H,1-2H2
InChIKeyNEPVHTVHXHJBLH-UHFFFAOYSA-N
MW212.03 g/mol
LogP2.22
Rot. Bonds6

About 2,3-difluoropropyl difluoro phosphate

2,3-difluoropropyl difluoro phosphate (PubChem CID 87222011) has the molecular formula C3H5F4O4P and a molecular weight of 212.03 g/mol. Its IUPAC name is 2,3-difluoropropyl difluoro phosphate.

Molecular Properties

Compound Name2,3-difluoropropyl difluoro phosphate
PubChem CID87222011
Molecular FormulaC3H5F4O4P
Molecular Weight212.03 g/mol
Exact Mass211.99
IUPAC Name2,3-difluoropropyl difluoro phosphate
SMILESO=P(OF)(OF)OCC(F)CF
InChIInChI=1S/C3H5F4O4P/c4-1-3(5)2-9-12(8,10-6)11-7/h3H,1-2H2
InChIKeyNEPVHTVHXHJBLH-UHFFFAOYSA-N
XLogP2.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 52.22
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 2,3-difluoropropyl difluoro phosphate?
The IUPAC name of 2,3-difluoropropyl difluoro phosphate (CID 87222011) is 2,3-difluoropropyl difluoro phosphate.
What is the SMILES notation for 2,3-difluoropropyl difluoro phosphate?
The canonical SMILES for 2,3-difluoropropyl difluoro phosphate is O=P(OF)(OF)OCC(F)CF.
What is the InChIKey of 2,3-difluoropropyl difluoro phosphate?
The InChIKey is NEPVHTVHXHJBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F4O4P/c4-1-3(5)2-9-12(8,10-6)11-7/h3H,1-2H2.
What are the key properties of 2,3-difluoropropyl difluoro phosphate?
2,3-difluoropropyl difluoro phosphate has a molecular weight of 212.03 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoropropyl difluoro phosphate is sourced from PubChem (CID 87222011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).