Basic information
- CAS
6884-81-7- Standard SMILES
CN(C)c1ccc2[nH]cc(C(=O)C(F)(F)F)c2c1- InChIKey
XSYIGNTVFXNTQH-UHFFFAOYSA-N- Molecular formula
- C12H11F3N2O
- Average molar mass
- 256.22 g/mol
- Monoisotopic mass
- 256.08234746
Names & identifiers
- Preferred name
- Indole, 5-(dimethylamino)-3-(trifluoroacetyl)-
- IUPAC
- 1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanone
Names & synonyms
BRN 0483902INDOLE, 5-(DIMETHYLAMINO)-3-(TRIFLUOROACETYL)-5-Dimethylamino-3-trifluoroacetylindole6884-81-7DTXSID602189425-22-13-00035 (Beilstein Handbook Reference)RefChem:349265DTXCID101414331-[5-(Dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethan-1-one
Database identifiers
- CAS
6884-81-7- PubChem CID
- 23316
- DTXSID
DTXSID60218942
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 36.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…