Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC2(C1)OCc1cc(C(=O)C=C(c3cc(Cl)c(Cl)c(Cl)c3)C(F)(F)F)ccc12- InChIKey
BLHFNXYGWNNBFT-UHFFFAOYSA-N- Molecular formula
- C25H21Cl3F3NO4
- Average molar mass
- 562.8 g/mol
Names & identifiers
- Preferred name
- tert-butyl 5'-(4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-2-enoyl)-3'H-spiro[azetidine-3,1'-isobenzofuran]-1-carboxylate
- IUPAC
- tert-butyl 6-[4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-2-enoyl]spiro[1H-2-benzofuran-3,3'-azetidine]-1'-carboxylate
Names & synonyms
tert-butyl 5'-(4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-2-enoyl)-3'H-spiro[azetidine-3,1'-isobenzofuran]-1-carboxylateSCHEMBL15515821
Database identifiers
- PubChem CID
- 90001488
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 888
Related reactions
2 records
Compound notes
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