Basic information
- Standard SMILES
CCOC(=O)C1(CC#Cc2ccc(OC(F)(F)F)cc2)CCC1- InChIKey
QBCNDILKPZUNMY-UHFFFAOYSA-N- Molecular formula
- C17H17F3O3
- Average molar mass
- 326.31 g/mol
- Monoisotopic mass
- 326.11297889
Names & identifiers
- Preferred name
- 1-[3-(4-Trifluoromethoxy-phenyl)-prop-2-ynyl]-cyclobutanecarboxylic acid ethyl ester
- IUPAC
- ethyl 1-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynyl]cyclobutane-1-carboxylate
Names & synonyms
1-[3-(4-Trifluoromethoxy-phenyl)-prop-2-ynyl]-cyclobutanecarboxylic acid ethyl esterSCHEMBL5484157
Database identifiers
- PubChem CID
- 69458936
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 474
Related reactions
3 records
Compound notes
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