Basic information
- Standard SMILES
CCOC(=O)C=C(c1c(C)[nH]c2ccc(OC)cc12)C(F)(F)F- InChIKey
BTPRNWQYJQARDT-UHFFFAOYSA-N- Molecular formula
- C16H16F3NO3
- Average molar mass
- 327.3 g/mol
- Monoisotopic mass
- 327.10822786
Names & identifiers
- Preferred name
- Ethyl 3-(5-methoxy-2-methylindol-3-yl)-4,4,4-trifluoro-2-butenoate
- IUPAC
- ethyl 4,4,4-trifluoro-3-(5-methoxy-2-methyl-1H-indol-3-yl)but-2-enoate
Names & synonyms
Ethyl 3-(5-methoxy-2-methylindol-3-yl)-4,4,4-trifluoro-2-butenoateSCHEMBL8875171
Database identifiers
- PubChem CID
- 53700575
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 464
Related reactions
2 records
Compound notes
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