methyl bis(2,2,3,3-tetrafluoropropyl) phosphate

C7H9F8O4P — CID 12516193

IUPACmethyl bis(2,2,3,3-tetrafluoropropyl) phosphate
SMILESCOP(=O)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C7H9F8O4P/c1-17-20(16,18-2-6(12,13)4(8)9)19-3-7(14,15)5(10)11/h4-5H,2-3H2,1H3
InChIKeySUQDLGGRKRPDGF-UHFFFAOYSA-N
MW340.10 g/mol
LogP3.57
Rot. Bonds9

About methyl bis(2,2,3,3-tetrafluoropropyl) phosphate

methyl bis(2,2,3,3-tetrafluoropropyl) phosphate (PubChem CID 12516193) has the molecular formula C7H9F8O4P and a molecular weight of 340.10 g/mol. Its IUPAC name is methyl bis(2,2,3,3-tetrafluoropropyl) phosphate.

Molecular Properties

Compound Namemethyl bis(2,2,3,3-tetrafluoropropyl) phosphate
PubChem CID12516193
Molecular FormulaC7H9F8O4P
Molecular Weight340.10 g/mol
Exact Mass340.01
IUPAC Namemethyl bis(2,2,3,3-tetrafluoropropyl) phosphate
SMILESCOP(=O)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C7H9F8O4P/c1-17-20(16,18-2-6(12,13)4(8)9)19-3-7(14,15)5(10)11/h4-5H,2-3H2,1H3
InChIKeySUQDLGGRKRPDGF-UHFFFAOYSA-N
XLogP3.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.10
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl bis(2,2,3,3-tetrafluoropropyl) phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl bis(2,2,3,3-tetrafluoropropyl) phosphate?
The IUPAC name of methyl bis(2,2,3,3-tetrafluoropropyl) phosphate (CID 12516193) is methyl bis(2,2,3,3-tetrafluoropropyl) phosphate.
What is the SMILES notation for methyl bis(2,2,3,3-tetrafluoropropyl) phosphate?
The canonical SMILES for methyl bis(2,2,3,3-tetrafluoropropyl) phosphate is COP(=O)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F.
What is the InChIKey of methyl bis(2,2,3,3-tetrafluoropropyl) phosphate?
The InChIKey is SUQDLGGRKRPDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F8O4P/c1-17-20(16,18-2-6(12,13)4(8)9)19-3-7(14,15)5(10)11/h4-5H,2-3H2,1H3.
What are the key properties of methyl bis(2,2,3,3-tetrafluoropropyl) phosphate?
methyl bis(2,2,3,3-tetrafluoropropyl) phosphate has a molecular weight of 340.10 g/mol, XLogP of 3.57, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl bis(2,2,3,3-tetrafluoropropyl) phosphate is sourced from PubChem (CID 12516193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).