Basic information
- Standard SMILES
Nc1ccc(-c2ccnc(-c3ccc(C(F)(F)F)cc3)n2)cc1- InChIKey
QMMFMXCAOVRUIW-UHFFFAOYSA-N- Molecular formula
- C17H12F3N3
- Average molar mass
- 315.29 g/mol
- Monoisotopic mass
- 315.09833188
Names & identifiers
- Preferred name
- 4-[2-(4-Trifluoromethylphenyl)-pyrimidin-4-yl]-phenylamine
- IUPAC
- 4-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]aniline
Names & synonyms
4-[2-(4-trifluoromethylphenyl)-pyrimidin-4-yl]-phenylamineSCHEMBL12596044-[2-(4-trifluoromethyl-phenyl)-pyrimidin-4-yl]-phenylamine
Database identifiers
- PubChem CID
- 66968883
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 372
Related reactions
9 records
Compound notes
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