dimethyl (2,2,2-trifluoro-1-phenylethyl) phosphate

C10H12F3O4P — CID 11666354

IUPACdimethyl (2,2,2-trifluoro-1-phenylethyl) phosphate
SMILESCOP(=O)(OC)OC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H12F3O4P/c1-15-18(14,16-2)17-9(10(11,12)13)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyLEDQZLXLDMICCN-UHFFFAOYSA-N
MW284.17 g/mol
LogP3.71
Rot. Bonds5

About dimethyl (2,2,2-trifluoro-1-phenylethyl) phosphate

dimethyl (2,2,2-trifluoro-1-phenylethyl) phosphate (PubChem CID 11666354) has the molecular formula C10H12F3O4P and a molecular weight of 284.17 g/mol. Its IUPAC name is dimethyl (2,2,2-trifluoro-1-phenylethyl) phosphate.

Molecular Properties

Compound Namedimethyl (2,2,2-trifluoro-1-phenylethyl) phosphate
PubChem CID11666354
Molecular FormulaC10H12F3O4P
Molecular Weight284.17 g/mol
Exact Mass284.04
IUPAC Namedimethyl (2,2,2-trifluoro-1-phenylethyl) phosphate
SMILESCOP(=O)(OC)OC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H12F3O4P/c1-15-18(14,16-2)17-9(10(11,12)13)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyLEDQZLXLDMICCN-UHFFFAOYSA-N
XLogP3.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.17
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2,2,2-trifluoro-1-phenylethyl) phosphate?
The IUPAC name of dimethyl (2,2,2-trifluoro-1-phenylethyl) phosphate (CID 11666354) is dimethyl (2,2,2-trifluoro-1-phenylethyl) phosphate.
What is the SMILES notation for dimethyl (2,2,2-trifluoro-1-phenylethyl) phosphate?
The canonical SMILES for dimethyl (2,2,2-trifluoro-1-phenylethyl) phosphate is COP(=O)(OC)OC(c1ccccc1)C(F)(F)F.
What is the InChIKey of dimethyl (2,2,2-trifluoro-1-phenylethyl) phosphate?
The InChIKey is LEDQZLXLDMICCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3O4P/c1-15-18(14,16-2)17-9(10(11,12)13)8-6-4-3-5-7-8/h3-7,9H,1-2H3.
What are the key properties of dimethyl (2,2,2-trifluoro-1-phenylethyl) phosphate?
dimethyl (2,2,2-trifluoro-1-phenylethyl) phosphate has a molecular weight of 284.17 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2,2,2-trifluoro-1-phenylethyl) phosphate is sourced from PubChem (CID 11666354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).