2-difluorophosphoryloxy-2-fluoropropane

C3H6F3O2P — CID 87222013

IUPAC2-difluorophosphoryloxy-2-fluoropropane
SMILESCC(C)(F)OP(=O)(F)F
InChIInChI=1S/C3H6F3O2P/c1-3(2,4)8-9(5,6)7/h1-2H3
InChIKeyLPBRCBXZNPQEGI-UHFFFAOYSA-N
MW162.05 g/mol
LogP2.76
Rot. Bonds2

About 2-difluorophosphoryloxy-2-fluoropropane

2-difluorophosphoryloxy-2-fluoropropane (PubChem CID 87222013) has the molecular formula C3H6F3O2P and a molecular weight of 162.05 g/mol. Its IUPAC name is 2-difluorophosphoryloxy-2-fluoropropane.

Molecular Properties

Compound Name2-difluorophosphoryloxy-2-fluoropropane
PubChem CID87222013
Molecular FormulaC3H6F3O2P
Molecular Weight162.05 g/mol
Exact Mass162.01
IUPAC Name2-difluorophosphoryloxy-2-fluoropropane
SMILESCC(C)(F)OP(=O)(F)F
InChIInChI=1S/C3H6F3O2P/c1-3(2,4)8-9(5,6)7/h1-2H3
InChIKeyLPBRCBXZNPQEGI-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.05
LogP ≤ 52.76
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-2-fluoropropane?
The IUPAC name of 2-difluorophosphoryloxy-2-fluoropropane (CID 87222013) is 2-difluorophosphoryloxy-2-fluoropropane.
What is the SMILES notation for 2-difluorophosphoryloxy-2-fluoropropane?
The canonical SMILES for 2-difluorophosphoryloxy-2-fluoropropane is CC(C)(F)OP(=O)(F)F.
What is the InChIKey of 2-difluorophosphoryloxy-2-fluoropropane?
The InChIKey is LPBRCBXZNPQEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3O2P/c1-3(2,4)8-9(5,6)7/h1-2H3.
What are the key properties of 2-difluorophosphoryloxy-2-fluoropropane?
2-difluorophosphoryloxy-2-fluoropropane has a molecular weight of 162.05 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-difluorophosphoryloxy-2-fluoropropane is sourced from PubChem (CID 87222013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).