1-difluorophosphoryloxy-1,1-difluoropropane

C3H5F4O2P — CID 87222010

IUPAC1-difluorophosphoryloxy-1,1-difluoropropane
SMILESCCC(F)(F)OP(=O)(F)F
InChIInChI=1S/C3H5F4O2P/c1-2-3(4,5)9-10(6,7)8/h2H2,1H3
InChIKeyFEDMWWDDTUDUGQ-UHFFFAOYSA-N
MW180.04 g/mol
LogP3.05
Rot. Bonds3

About 1-difluorophosphoryloxy-1,1-difluoropropane

1-difluorophosphoryloxy-1,1-difluoropropane (PubChem CID 87222010) has the molecular formula C3H5F4O2P and a molecular weight of 180.04 g/mol. Its IUPAC name is 1-difluorophosphoryloxy-1,1-difluoropropane.

Molecular Properties

Compound Name1-difluorophosphoryloxy-1,1-difluoropropane
PubChem CID87222010
Molecular FormulaC3H5F4O2P
Molecular Weight180.04 g/mol
Exact Mass180.00
IUPAC Name1-difluorophosphoryloxy-1,1-difluoropropane
SMILESCCC(F)(F)OP(=O)(F)F
InChIInChI=1S/C3H5F4O2P/c1-2-3(4,5)9-10(6,7)8/h2H2,1H3
InChIKeyFEDMWWDDTUDUGQ-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
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 1-difluorophosphoryloxy-1,1-difluoropropane?
The IUPAC name of 1-difluorophosphoryloxy-1,1-difluoropropane (CID 87222010) is 1-difluorophosphoryloxy-1,1-difluoropropane.
What is the SMILES notation for 1-difluorophosphoryloxy-1,1-difluoropropane?
The canonical SMILES for 1-difluorophosphoryloxy-1,1-difluoropropane is CCC(F)(F)OP(=O)(F)F.
What is the InChIKey of 1-difluorophosphoryloxy-1,1-difluoropropane?
The InChIKey is FEDMWWDDTUDUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F4O2P/c1-2-3(4,5)9-10(6,7)8/h2H2,1H3.
What are the key properties of 1-difluorophosphoryloxy-1,1-difluoropropane?
1-difluorophosphoryloxy-1,1-difluoropropane has a molecular weight of 180.04 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-difluorophosphoryloxy-1,1-difluoropropane is sourced from PubChem (CID 87222010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).