Basic information
- Standard SMILES
O=CC1=Cc2ccc(OCc3ccc(C(F)(F)F)cc3C(F)(F)F)cc2OC1- InChIKey
GHIBKKGYEUVLPU-UHFFFAOYSA-N- Molecular formula
- C19H12F6O3
- Average molar mass
- 402.3 g/mol
- Monoisotopic mass
- 402.06906321
Names & identifiers
- Preferred name
- 7-{[2,4-bis(trifluoromethyl)benzyl]oxy}-2H-chromene-3-carbaldehyde
- IUPAC
- 7-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde
Names & synonyms
7-{[2,4-bis(trifluoromethyl)benzyl]oxy}-2H-chromene-3-carbaldehydeSCHEMBL2326732
Database identifiers
- PubChem CID
- 86657641
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 585
Related reactions
2 records
Compound notes
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