2-difluorophosphoryloxy-1,1,1-trifluoroethane

C2H2F5O2P — CID 87128509

IUPAC2-difluorophosphoryloxy-1,1,1-trifluoroethane
SMILESO=P(F)(F)OCC(F)(F)F
InChIInChI=1S/C2H2F5O2P/c3-2(4,5)1-9-10(6,7)8/h1H2
InChIKeyDIWTWCCBDDWZPR-UHFFFAOYSA-N
MW184.00 g/mol
LogP2.61
Rot. Bonds2

About 2-difluorophosphoryloxy-1,1,1-trifluoroethane

2-difluorophosphoryloxy-1,1,1-trifluoroethane (PubChem CID 87128509) has the molecular formula C2H2F5O2P and a molecular weight of 184.00 g/mol. Its IUPAC name is 2-difluorophosphoryloxy-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-difluorophosphoryloxy-1,1,1-trifluoroethane
PubChem CID87128509
Molecular FormulaC2H2F5O2P
Molecular Weight184.00 g/mol
Exact Mass183.97
IUPAC Name2-difluorophosphoryloxy-1,1,1-trifluoroethane
SMILESO=P(F)(F)OCC(F)(F)F
InChIInChI=1S/C2H2F5O2P/c3-2(4,5)1-9-10(6,7)8/h1H2
InChIKeyDIWTWCCBDDWZPR-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.00
LogP ≤ 52.61
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-trifluoroethane?
The IUPAC name of 2-difluorophosphoryloxy-1,1,1-trifluoroethane (CID 87128509) is 2-difluorophosphoryloxy-1,1,1-trifluoroethane.
What is the SMILES notation for 2-difluorophosphoryloxy-1,1,1-trifluoroethane?
The canonical SMILES for 2-difluorophosphoryloxy-1,1,1-trifluoroethane is O=P(F)(F)OCC(F)(F)F.
What is the InChIKey of 2-difluorophosphoryloxy-1,1,1-trifluoroethane?
The InChIKey is DIWTWCCBDDWZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F5O2P/c3-2(4,5)1-9-10(6,7)8/h1H2.
What are the key properties of 2-difluorophosphoryloxy-1,1,1-trifluoroethane?
2-difluorophosphoryloxy-1,1,1-trifluoroethane has a molecular weight of 184.00 g/mol, XLogP of 2.61, 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-trifluoroethane is sourced from PubChem (CID 87128509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).