2-difluorophosphoryloxy-1,2-difluoropropane

C3H5F4O2P — CID 87222051

IUPAC2-difluorophosphoryloxy-1,2-difluoropropane
SMILESCC(F)(CF)OP(=O)(F)F
InChIInChI=1S/C3H5F4O2P/c1-3(5,2-4)9-10(6,7)8/h2H2,1H3
InChIKeyQATUNRXIYPRHAU-UHFFFAOYSA-N
MW180.04 g/mol
LogP2.71
Rot. Bonds3

About 2-difluorophosphoryloxy-1,2-difluoropropane

2-difluorophosphoryloxy-1,2-difluoropropane (PubChem CID 87222051) has the molecular formula C3H5F4O2P and a molecular weight of 180.04 g/mol. Its IUPAC name is 2-difluorophosphoryloxy-1,2-difluoropropane.

Molecular Properties

Compound Name2-difluorophosphoryloxy-1,2-difluoropropane
PubChem CID87222051
Molecular FormulaC3H5F4O2P
Molecular Weight180.04 g/mol
Exact Mass180.00
IUPAC Name2-difluorophosphoryloxy-1,2-difluoropropane
SMILESCC(F)(CF)OP(=O)(F)F
InChIInChI=1S/C3H5F4O2P/c1-3(5,2-4)9-10(6,7)8/h2H2,1H3
InChIKeyQATUNRXIYPRHAU-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.04
LogP ≤ 52.71
H-Bond Donors ≤ 50
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-difluorophosphoryloxy-1,2-difluoropropane?
The IUPAC name of 2-difluorophosphoryloxy-1,2-difluoropropane (CID 87222051) is 2-difluorophosphoryloxy-1,2-difluoropropane.
What is the SMILES notation for 2-difluorophosphoryloxy-1,2-difluoropropane?
The canonical SMILES for 2-difluorophosphoryloxy-1,2-difluoropropane is CC(F)(CF)OP(=O)(F)F.
What is the InChIKey of 2-difluorophosphoryloxy-1,2-difluoropropane?
The InChIKey is QATUNRXIYPRHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F4O2P/c1-3(5,2-4)9-10(6,7)8/h2H2,1H3.
What are the key properties of 2-difluorophosphoryloxy-1,2-difluoropropane?
2-difluorophosphoryloxy-1,2-difluoropropane has a molecular weight of 180.04 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-difluorophosphoryloxy-1,2-difluoropropane is sourced from PubChem (CID 87222051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).