ethenyl bis(trifluoromethyl) phosphate

C4H3F6O4P — CID 172804710

IUPACethenyl bis(trifluoromethyl) phosphate
SMILESC=COP(=O)(OC(F)(F)F)OC(F)(F)F
InChIInChI=1S/C4H3F6O4P/c1-2-12-15(11,13-3(5,6)7)14-4(8,9)10/h2H,1H2
InChIKeyRIRSKWLLJYGQFN-UHFFFAOYSA-N
MW260.03 g/mol
LogP3.33
Rot. Bonds4

About ethenyl bis(trifluoromethyl) phosphate

ethenyl bis(trifluoromethyl) phosphate (PubChem CID 172804710) has the molecular formula C4H3F6O4P and a molecular weight of 260.03 g/mol. Its IUPAC name is ethenyl bis(trifluoromethyl) phosphate.

Molecular Properties

Compound Nameethenyl bis(trifluoromethyl) phosphate
PubChem CID172804710
Molecular FormulaC4H3F6O4P
Molecular Weight260.03 g/mol
Exact Mass259.97
IUPAC Nameethenyl bis(trifluoromethyl) phosphate
SMILESC=COP(=O)(OC(F)(F)F)OC(F)(F)F
InChIInChI=1S/C4H3F6O4P/c1-2-12-15(11,13-3(5,6)7)14-4(8,9)10/h2H,1H2
InChIKeyRIRSKWLLJYGQFN-UHFFFAOYSA-N
XLogP3.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.03
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl bis(trifluoromethyl) phosphate?
The IUPAC name of ethenyl bis(trifluoromethyl) phosphate (CID 172804710) is ethenyl bis(trifluoromethyl) phosphate.
What is the SMILES notation for ethenyl bis(trifluoromethyl) phosphate?
The canonical SMILES for ethenyl bis(trifluoromethyl) phosphate is C=COP(=O)(OC(F)(F)F)OC(F)(F)F.
What is the InChIKey of ethenyl bis(trifluoromethyl) phosphate?
The InChIKey is RIRSKWLLJYGQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F6O4P/c1-2-12-15(11,13-3(5,6)7)14-4(8,9)10/h2H,1H2.
What are the key properties of ethenyl bis(trifluoromethyl) phosphate?
ethenyl bis(trifluoromethyl) phosphate has a molecular weight of 260.03 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl bis(trifluoromethyl) phosphate is sourced from PubChem (CID 172804710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).