(2,4-Dimethoxyphenyl)[2-fluoro-3-(trifluoromethyl)phenyl]methanone

HCID 67021176

Notes Reactions

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Basic information

CAS: 680610-69-9
Standard SMILES: COc1ccc(C(=O)c2cccc(C(F)(F)F)c2F)c(OC)c1
InChIKey: DPPVASNKQONCGB-UHFFFAOYSA-N
Molecular formula: C16H12F4O3
Average molar mass: 328.26 g/mol
Monoisotopic mass: 328.07225712

Names & identifiers

Preferred name: (2,4-Dimethoxyphenyl)[2-fluoro-3-(trifluoromethyl)phenyl]methanone
IUPAC: (2,4-dimethoxyphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone

Names & synonyms

(2,4-dimethoxyphenyl)[2-fluoro-3-(trifluoromethyl)phenyl]methanone680610-69-9SCHEMBL1407535DTXSID70736223DB-329631(2,4-dimethoxyphenyl)[2-fluoro-3-(trifluoro-methyl)phenyl]methanone2,4-DIMETHOXYPHENYL[(2-FLUORO-3-(TRIFLUOROMETHYL)PHENYL)]METHANONE

Database identifiers

CAS: 680610-69-9
PubChem CID: 67021176
DTXSID: DTXSID70736223

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 413

Related reactions

4 records

New reaction record

HRID 283200As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 735427As reactantuspto-grants-2009_09

HRID 1294871As productuspto-grants-2007_07

HRID 1294910As reactantuspto-grants-2007_07

Compound notes

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