Basic information
- Standard SMILES
CC(C)(CC1(C(F)(F)F)CO1)c1cccc2c1OCC2- InChIKey
PIQQLUPMXIBPFP-UHFFFAOYSA-N- Molecular formula
- C15H17F3O2
- Average molar mass
- 286.29 g/mol
- Monoisotopic mass
- 286.11806427
Names & identifiers
- Preferred name
- 7-[1,1-Dimethyl-2-(2-trifluoromethyloxiranyl)ethyl]-2,3-dihydrobenzofuran
- IUPAC
- 7-[2-methyl-1-[2-(trifluoromethyl)oxiran-2-yl]propan-2-yl]-2,3-dihydro-1-benzofuran
Names & synonyms
7-[1,1-dimethyl-2-(2-trifluoromethyloxiranyl)ethyl]-2,3-dihydrobenzofuranSCHEMBL303903racemic 7-{1,1-dimethyl-2-[2-(trifluoromethyl)-2-oxiranyl]ethyl}-2,3-dihydro-1-benzofuran
Database identifiers
- PubChem CID
- 57775518
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 21.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Related reactions
16 records
Compound notes
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