4-dimethoxyphosphoryl-5-(trifluoromethyl)-1,3-dioxolan-2-one

C6H8F3O6P — CID 130466867

IUPAC4-dimethoxyphosphoryl-5-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESCOP(=O)(OC)C1OC(=O)OC1C(F)(F)F
InChIInChI=1S/C6H8F3O6P/c1-12-16(11,13-2)4-3(6(7,8)9)14-5(10)15-4/h3-4H,1-2H3
InChIKeySCACUTLQGIYZIT-UHFFFAOYSA-N
MW264.09 g/mol
LogP1.90
Rot. Bonds3

About 4-dimethoxyphosphoryl-5-(trifluoromethyl)-1,3-dioxolan-2-one

4-dimethoxyphosphoryl-5-(trifluoromethyl)-1,3-dioxolan-2-one (PubChem CID 130466867) has the molecular formula C6H8F3O6P and a molecular weight of 264.09 g/mol. Its IUPAC name is 4-dimethoxyphosphoryl-5-(trifluoromethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-dimethoxyphosphoryl-5-(trifluoromethyl)-1,3-dioxolan-2-one
PubChem CID130466867
Molecular FormulaC6H8F3O6P
Molecular Weight264.09 g/mol
Exact Mass264.00
IUPAC Name4-dimethoxyphosphoryl-5-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESCOP(=O)(OC)C1OC(=O)OC1C(F)(F)F
InChIInChI=1S/C6H8F3O6P/c1-12-16(11,13-2)4-3(6(7,8)9)14-5(10)15-4/h3-4H,1-2H3
InChIKeySCACUTLQGIYZIT-UHFFFAOYSA-N
XLogP1.90
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
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-dimethoxyphosphoryl-5-(trifluoromethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-dimethoxyphosphoryl-5-(trifluoromethyl)-1,3-dioxolan-2-one (CID 130466867) is 4-dimethoxyphosphoryl-5-(trifluoromethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-dimethoxyphosphoryl-5-(trifluoromethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-dimethoxyphosphoryl-5-(trifluoromethyl)-1,3-dioxolan-2-one is COP(=O)(OC)C1OC(=O)OC1C(F)(F)F.
What is the InChIKey of 4-dimethoxyphosphoryl-5-(trifluoromethyl)-1,3-dioxolan-2-one?
The InChIKey is SCACUTLQGIYZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3O6P/c1-12-16(11,13-2)4-3(6(7,8)9)14-5(10)15-4/h3-4H,1-2H3.
What are the key properties of 4-dimethoxyphosphoryl-5-(trifluoromethyl)-1,3-dioxolan-2-one?
4-dimethoxyphosphoryl-5-(trifluoromethyl)-1,3-dioxolan-2-one has a molecular weight of 264.09 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethoxyphosphoryl-5-(trifluoromethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 130466867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).