2-difluorophosphoryloxy-1,1-difluoroethane

C2H3F4O2P — CID 87221875

IUPAC2-difluorophosphoryloxy-1,1-difluoroethane
SMILESO=P(F)(F)OCC(F)F
InChIInChI=1S/C2H3F4O2P/c3-2(4)1-8-9(5,6)7/h2H,1H2
InChIKeyBLXQSJQGGRUMQR-UHFFFAOYSA-N
MW166.01 g/mol
LogP2.32
Rot. Bonds3

About 2-difluorophosphoryloxy-1,1-difluoroethane

2-difluorophosphoryloxy-1,1-difluoroethane (PubChem CID 87221875) has the molecular formula C2H3F4O2P and a molecular weight of 166.01 g/mol. Its IUPAC name is 2-difluorophosphoryloxy-1,1-difluoroethane.

Molecular Properties

Compound Name2-difluorophosphoryloxy-1,1-difluoroethane
PubChem CID87221875
Molecular FormulaC2H3F4O2P
Molecular Weight166.01 g/mol
Exact Mass165.98
IUPAC Name2-difluorophosphoryloxy-1,1-difluoroethane
SMILESO=P(F)(F)OCC(F)F
InChIInChI=1S/C2H3F4O2P/c3-2(4)1-8-9(5,6)7/h2H,1H2
InChIKeyBLXQSJQGGRUMQR-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.01
LogP ≤ 52.32
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-difluoroethane?
The IUPAC name of 2-difluorophosphoryloxy-1,1-difluoroethane (CID 87221875) is 2-difluorophosphoryloxy-1,1-difluoroethane.
What is the SMILES notation for 2-difluorophosphoryloxy-1,1-difluoroethane?
The canonical SMILES for 2-difluorophosphoryloxy-1,1-difluoroethane is O=P(F)(F)OCC(F)F.
What is the InChIKey of 2-difluorophosphoryloxy-1,1-difluoroethane?
The InChIKey is BLXQSJQGGRUMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F4O2P/c3-2(4)1-8-9(5,6)7/h2H,1H2.
What are the key properties of 2-difluorophosphoryloxy-1,1-difluoroethane?
2-difluorophosphoryloxy-1,1-difluoroethane has a molecular weight of 166.01 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-difluorophosphoryloxy-1,1-difluoroethane is sourced from PubChem (CID 87221875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).