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

C6H8F3O6P — CID 130466587

IUPAC4-[methoxy(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one
SMILESCOP(=O)(OCC(F)(F)F)C1COC(=O)O1
InChIInChI=1S/C6H8F3O6P/c1-12-16(11,14-3-6(7,8)9)4-2-13-5(10)15-4/h4H,2-3H2,1H3
InChIKeySHVVJIWMWOLCOT-UHFFFAOYSA-N
MW264.09 g/mol
LogP1.90
Rot. Bonds4

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

4-[methoxy(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one (PubChem CID 130466587) has the molecular formula C6H8F3O6P and a molecular weight of 264.09 g/mol. Its IUPAC name is 4-[methoxy(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[methoxy(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one
PubChem CID130466587
Molecular FormulaC6H8F3O6P
Molecular Weight264.09 g/mol
Exact Mass264.00
IUPAC Name4-[methoxy(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one
SMILESCOP(=O)(OCC(F)(F)F)C1COC(=O)O1
InChIInChI=1S/C6H8F3O6P/c1-12-16(11,14-3-6(7,8)9)4-2-13-5(10)15-4/h4H,2-3H2,1H3
InChIKeySHVVJIWMWOLCOT-UHFFFAOYSA-N
XLogP1.90
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 51.90
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-[methoxy(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[methoxy(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one (CID 130466587) is 4-[methoxy(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[methoxy(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[methoxy(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one is COP(=O)(OCC(F)(F)F)C1COC(=O)O1.
What is the InChIKey of 4-[methoxy(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one?
The InChIKey is SHVVJIWMWOLCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3O6P/c1-12-16(11,14-3-6(7,8)9)4-2-13-5(10)15-4/h4H,2-3H2,1H3.
What are the key properties of 4-[methoxy(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one?
4-[methoxy(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one has a molecular weight of 264.09 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(2,2,2-trifluoroethoxy)phosphoryl]-1,3-dioxolan-2-one is sourced from PubChem (CID 130466587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).