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Basic information
- Standard SMILES
Cc1ccnc(N2CCN(C(=O)/C=C/C(F)(F)F)CC2)c1- InChIKey
HYQLVXNGCGJLBQ-DUXPYHPUSA-N- Molecular formula
- C14H16F3N3O
- Average molar mass
- 299.29 g/mol
- Monoisotopic mass
- 299.12454663
Names & identifiers
- Preferred name
- (E)-4,4,4-Trifluoro-1-[4-(4-methyl-2-pyridyl)piperazin-1-yl]but-2-en-1-one
- IUPAC
- (E)-4,4,4-trifluoro-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]but-2-en-1-one
Names & synonyms
(E)-4,4,4-Trifluoro-1-[4-(4-methyl-2-pyridyl)piperazin-1-yl]but-2-en-1-oneSCHEMBL16566655
Database identifiers
- PubChem CID
- 71765249
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 389
Related reactions
2 records
Compound notes
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