[3-fluoro-5-(trifluoromethyl)phenyl]-[methoxy(phenyl)phosphoryl]methanone

C15H11F4O3P — CID 166848332

IUPAC[3-fluoro-5-(trifluoromethyl)phenyl]-[methoxy(phenyl)phosphoryl]methanone
SMILESCOP(=O)(C(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C15H11F4O3P/c1-22-23(21,13-5-3-2-4-6-13)14(20)10-7-11(15(17,18)19)9-12(16)8-10/h2-9H,1H3
InChIKeyXRKAAYPDLXWZBV-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.23
Rot. Bonds4

About [3-fluoro-5-(trifluoromethyl)phenyl]-[methoxy(phenyl)phosphoryl]methanone

[3-fluoro-5-(trifluoromethyl)phenyl]-[methoxy(phenyl)phosphoryl]methanone (PubChem CID 166848332) has the molecular formula C15H11F4O3P and a molecular weight of 346.22 g/mol. Its IUPAC name is [3-fluoro-5-(trifluoromethyl)phenyl]-[methoxy(phenyl)phosphoryl]methanone.

Molecular Properties

Compound Name[3-fluoro-5-(trifluoromethyl)phenyl]-[methoxy(phenyl)phosphoryl]methanone
PubChem CID166848332
Molecular FormulaC15H11F4O3P
Molecular Weight346.22 g/mol
Exact Mass346.04
IUPAC Name[3-fluoro-5-(trifluoromethyl)phenyl]-[methoxy(phenyl)phosphoryl]methanone
SMILESCOP(=O)(C(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C15H11F4O3P/c1-22-23(21,13-5-3-2-4-6-13)14(20)10-7-11(15(17,18)19)9-12(16)8-10/h2-9H,1H3
InChIKeyXRKAAYPDLXWZBV-UHFFFAOYSA-N
XLogP4.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluorobenzoic acid;3-fluoro-5-(trifluoromethyl)benzoic acid
CID 160578219
(E)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-en-1-one
CID 146008765
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
CID 146008767
N-(5-amino-2-fluorophenyl)-3-fluoro-5-(trifluoromethyl)benzamide
CID 137353811
2-[methoxy(phenyl)phosphoryl]prop-2-enoic acid
CID 15948085
3-fluoro-N-(1-naphthalen-2-ylethyl)-5-(trifluoromethyl)benzamide
CID 70693309
nonadecyl 3-fluoro-5-(trifluoromethyl)benzoate
CID 91698375
octadecyl 3-fluoro-5-(trifluoromethyl)benzoate
CID 91730687
2-chloro-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
CID 130132466
2,2-dichloro-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
CID 146008732
3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 71972456
2-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
CID 170896141

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(trifluoromethyl)phenyl]-[methoxy(phenyl)phosphoryl]methanone?
The IUPAC name of [3-fluoro-5-(trifluoromethyl)phenyl]-[methoxy(phenyl)phosphoryl]methanone (CID 166848332) is [3-fluoro-5-(trifluoromethyl)phenyl]-[methoxy(phenyl)phosphoryl]methanone.
What is the SMILES notation for [3-fluoro-5-(trifluoromethyl)phenyl]-[methoxy(phenyl)phosphoryl]methanone?
The canonical SMILES for [3-fluoro-5-(trifluoromethyl)phenyl]-[methoxy(phenyl)phosphoryl]methanone is COP(=O)(C(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of [3-fluoro-5-(trifluoromethyl)phenyl]-[methoxy(phenyl)phosphoryl]methanone?
The InChIKey is XRKAAYPDLXWZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4O3P/c1-22-23(21,13-5-3-2-4-6-13)14(20)10-7-11(15(17,18)19)9-12(16)8-10/h2-9H,1H3.
What are the key properties of [3-fluoro-5-(trifluoromethyl)phenyl]-[methoxy(phenyl)phosphoryl]methanone?
[3-fluoro-5-(trifluoromethyl)phenyl]-[methoxy(phenyl)phosphoryl]methanone has a molecular weight of 346.22 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(trifluoromethyl)phenyl]-[methoxy(phenyl)phosphoryl]methanone is sourced from PubChem (CID 166848332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).