4-[bis(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one

C7H7F6O6P — CID 130449182

IUPAC4-[bis(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one
SMILESO=C1OCC(P(=O)(OCC(F)(F)F)OCC(F)(F)F)O1
InChIInChI=1S/C7H7F6O6P/c8-6(9,10)2-17-20(15,18-3-7(11,12)13)4-1-16-5(14)19-4/h4H,1-3H2
InChIKeyDGGXQNIKHFDRRT-UHFFFAOYSA-N
MW332.09 g/mol
LogP2.83
Rot. Bonds5

About 4-[bis(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one

4-[bis(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one (PubChem CID 130449182) has the molecular formula C7H7F6O6P and a molecular weight of 332.09 g/mol. Its IUPAC name is 4-[bis(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[bis(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one
PubChem CID130449182
Molecular FormulaC7H7F6O6P
Molecular Weight332.09 g/mol
Exact Mass331.99
IUPAC Name4-[bis(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one
SMILESO=C1OCC(P(=O)(OCC(F)(F)F)OCC(F)(F)F)O1
InChIInChI=1S/C7H7F6O6P/c8-6(9,10)2-17-20(15,18-3-7(11,12)13)4-1-16-5(14)19-4/h4H,1-3H2
InChIKeyDGGXQNIKHFDRRT-UHFFFAOYSA-N
XLogP2.83
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.09
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[bis(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one (CID 130449182) is 4-[bis(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[bis(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[bis(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one is O=C1OCC(P(=O)(OCC(F)(F)F)OCC(F)(F)F)O1.
What is the InChIKey of 4-[bis(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one?
The InChIKey is DGGXQNIKHFDRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F6O6P/c8-6(9,10)2-17-20(15,18-3-7(11,12)13)4-1-16-5(14)19-4/h4H,1-3H2.
What are the key properties of 4-[bis(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one?
4-[bis(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one has a molecular weight of 332.09 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one is sourced from PubChem (CID 130449182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).