3-(1-(1H)-imidazolyl)-1-(3-trifluoromethylphenyl)-1-propanone
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Basic information
- Standard SMILES
O=C(CCn1ccnc1)c1cccc(C(F)(F)F)c1- InChIKey
OAJYCAYGLZXAMT-UHFFFAOYSA-N- Molecular formula
- C13H11F3N2O
- Average molar mass
- 268.23 g/mol
- Monoisotopic mass
- 268.08234746
Names & identifiers
- Preferred name
- 3-(1-(1H)-imidazolyl)-1-(3-trifluoromethylphenyl)-1-propanone
- IUPAC
- 3-imidazol-1-yl-1-[3-(trifluoromethyl)phenyl]propan-1-one
Names & synonyms
3-(1-(1H)-imidazolyl)-1-(3-trifluoromethylphenyl)-1-propanoneSCHEMBL6954552
Database identifiers
- PubChem CID
- 19078331
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 320
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Related reactions
7 records
Compound notes
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