Basic information
- CAS
69258-07-7- Standard SMILES
CCSCC(=O)/C(=C/NC)c1cccc(C(F)(F)F)c1- InChIKey
NZWZFHWYJMSCNF-XYOKQWHBSA-N- Molecular formula
- C14H16F3NOS
- Average molar mass
- 303.34 g/mol
- Monoisotopic mass
- 303.09046979
Names & identifiers
- Preferred name
- 1-(Ethylsulfanyl)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]but-3-en-2-one
- IUPAC
- (E)-1-ethylsulfanyl-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]but-3-en-2-one
Names & synonyms
1-(Ethylsulfanyl)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]but-3-en-2-one
Database identifiers
- CAS
69258-07-7- PubChem CID
- 3036747
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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