2-difluorophosphoryloxy-1,1,1,2-tetrafluoropropane

C3H3F6O2P — CID 87221885

IUPAC2-difluorophosphoryloxy-1,1,1,2-tetrafluoropropane
SMILESCC(F)(OP(=O)(F)F)C(F)(F)F
InChIInChI=1S/C3H3F6O2P/c1-2(4,3(5,6)7)11-12(8,9)10/h1H3
InChIKeyQNVDLXYSMXBFEM-UHFFFAOYSA-N
MW216.02 g/mol
LogP3.30
Rot. Bonds2

About 2-difluorophosphoryloxy-1,1,1,2-tetrafluoropropane

2-difluorophosphoryloxy-1,1,1,2-tetrafluoropropane (PubChem CID 87221885) has the molecular formula C3H3F6O2P and a molecular weight of 216.02 g/mol. Its IUPAC name is 2-difluorophosphoryloxy-1,1,1,2-tetrafluoropropane.

Molecular Properties

Compound Name2-difluorophosphoryloxy-1,1,1,2-tetrafluoropropane
PubChem CID87221885
Molecular FormulaC3H3F6O2P
Molecular Weight216.02 g/mol
Exact Mass215.98
IUPAC Name2-difluorophosphoryloxy-1,1,1,2-tetrafluoropropane
SMILESCC(F)(OP(=O)(F)F)C(F)(F)F
InChIInChI=1S/C3H3F6O2P/c1-2(4,3(5,6)7)11-12(8,9)10/h1H3
InChIKeyQNVDLXYSMXBFEM-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.02
LogP ≤ 53.30
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-1,1,1,2-tetrafluoropropane?
The IUPAC name of 2-difluorophosphoryloxy-1,1,1,2-tetrafluoropropane (CID 87221885) is 2-difluorophosphoryloxy-1,1,1,2-tetrafluoropropane.
What is the SMILES notation for 2-difluorophosphoryloxy-1,1,1,2-tetrafluoropropane?
The canonical SMILES for 2-difluorophosphoryloxy-1,1,1,2-tetrafluoropropane is CC(F)(OP(=O)(F)F)C(F)(F)F.
What is the InChIKey of 2-difluorophosphoryloxy-1,1,1,2-tetrafluoropropane?
The InChIKey is QNVDLXYSMXBFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F6O2P/c1-2(4,3(5,6)7)11-12(8,9)10/h1H3.
What are the key properties of 2-difluorophosphoryloxy-1,1,1,2-tetrafluoropropane?
2-difluorophosphoryloxy-1,1,1,2-tetrafluoropropane has a molecular weight of 216.02 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-difluorophosphoryloxy-1,1,1,2-tetrafluoropropane is sourced from PubChem (CID 87221885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).