3,5-Dichloro-2-fluoro-4-[3-(trifluoromethyl)phenoxy]aniline
Basic information
- CAS
115812-52-7- Standard SMILES
Nc1cc(Cl)c(Oc2cccc(C(F)(F)F)c2)c(Cl)c1F- InChIKey
QAYOKLIEJXFJGV-UHFFFAOYSA-N- Molecular formula
- C13H7Cl2F4NO
- Average molar mass
- 340.1 g/mol
- Monoisotopic mass
- 338.9840819
Names & identifiers
- Preferred name
- 3,5-Dichloro-2-fluoro-4-[3-(trifluoromethyl)phenoxy]aniline
- IUPAC
- 3,5-dichloro-2-fluoro-4-[3-(trifluoromethyl)phenoxy]aniline
Names & synonyms
115812-52-73,5-Dichloro-2-fluoro-4-[3-(trifluoromethyl)phenoxy]anilineBenzenamine, 3,5-dichloro-2-fluoro-4-[3-(trifluoromethyl)phenoxy]-SCHEMBL10342514DTXSID30555917QAYOKLIEJXFJGV-UHFFFAOYSA-N
Database identifiers
- CAS
115812-52-7- PubChem CID
- 14100727
- DTXSID
DTXSID30555917
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 358
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Compound notes
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