[4-fluoro-3-(trifluoromethyl)phenyl] dimethyl phosphate

C9H9F4O4P — CID 118589716

IUPAC[4-fluoro-3-(trifluoromethyl)phenyl] dimethyl phosphate
SMILESCOP(=O)(OC)Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C9H9F4O4P/c1-15-18(14,16-2)17-6-3-4-8(10)7(5-6)9(11,12)13/h3-5H,1-2H3
InChIKeyZFSDLXCGDXVBJI-UHFFFAOYSA-N
MW288.13 g/mol
LogP3.62
Rot. Bonds4

About [4-fluoro-3-(trifluoromethyl)phenyl] dimethyl phosphate

[4-fluoro-3-(trifluoromethyl)phenyl] dimethyl phosphate (PubChem CID 118589716) has the molecular formula C9H9F4O4P and a molecular weight of 288.13 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethyl)phenyl] dimethyl phosphate.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethyl)phenyl] dimethyl phosphate
PubChem CID118589716
Molecular FormulaC9H9F4O4P
Molecular Weight288.13 g/mol
Exact Mass288.02
IUPAC Name[4-fluoro-3-(trifluoromethyl)phenyl] dimethyl phosphate
SMILESCOP(=O)(OC)Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C9H9F4O4P/c1-15-18(14,16-2)17-6-3-4-8(10)7(5-6)9(11,12)13/h3-5H,1-2H3
InChIKeyZFSDLXCGDXVBJI-UHFFFAOYSA-N
XLogP3.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 53.62
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 [4-fluoro-3-(trifluoromethyl)phenyl] dimethyl phosphate?
The IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl] dimethyl phosphate (CID 118589716) is [4-fluoro-3-(trifluoromethyl)phenyl] dimethyl phosphate.
What is the SMILES notation for [4-fluoro-3-(trifluoromethyl)phenyl] dimethyl phosphate?
The canonical SMILES for [4-fluoro-3-(trifluoromethyl)phenyl] dimethyl phosphate is COP(=O)(OC)Oc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of [4-fluoro-3-(trifluoromethyl)phenyl] dimethyl phosphate?
The InChIKey is ZFSDLXCGDXVBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4O4P/c1-15-18(14,16-2)17-6-3-4-8(10)7(5-6)9(11,12)13/h3-5H,1-2H3.
What are the key properties of [4-fluoro-3-(trifluoromethyl)phenyl] dimethyl phosphate?
[4-fluoro-3-(trifluoromethyl)phenyl] dimethyl phosphate has a molecular weight of 288.13 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(trifluoromethyl)phenyl] dimethyl phosphate is sourced from PubChem (CID 118589716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).