1-(chloromethyl)-3-(trifluoroacetyl)-1,2-dihydro-3H-benz[e]indole
Basic information
- Standard SMILES
O=C(N1CC(CCl)c2c1ccc1ccccc21)C(F)(F)F- InChIKey
BBHUKLYFSWPIGC-UHFFFAOYSA-N- Molecular formula
- C15H11ClF3NO
- Average molar mass
- 313.7 g/mol
- Monoisotopic mass
- 313.0481262
Names & identifiers
- Preferred name
- 1-(chloromethyl)-3-(trifluoroacetyl)-1,2-dihydro-3H-benz[e]indole
- IUPAC
- 1-[1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-2,2,2-trifluoroethanone
Names & synonyms
1-(chloromethyl)-3-(trifluoroacetyl)-1,2-dihydro-3H-benz[e]indoleSCHEMBL3565799
Database identifiers
- PubChem CID
- 44549145
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 414
Related reactions
5 records
Compound notes
Loading…