7-[1,1-Dimethyl-2-(2-trifluoromethyloxiranyl)ethyl]-2,3-dihydrobenzofuran

HCID 57775518

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

Related reactions

16 records

Compound notes

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