Basic information
- Standard SMILES
CC1(C)Cc2cccc(NC(=S)SCCC(F)=C(F)F)c2O1- InChIKey
JBKRHVFRFUGWLZ-UHFFFAOYSA-N- Molecular formula
- C15H16F3NOS2
- Average molar mass
- 347.4 g/mol
Names & identifiers
- Preferred name
- (3,4,4-trifluoro-3-butenyl) N-(2,3-dihydro-2,2-dimethylbenzofuran-7-yl)dithiocarbamate
- IUPAC
- 3,4,4-trifluorobut-3-enyl N-(2,2-dimethyl-3H-1-benzofuran-7-yl)carbamodithioate
Names & synonyms
(3,4,4-trifluoro-3-butenyl) N-(2,3-dihydro-2,2-dimethylbenzofuran-7-yl)dithiocarbamateSCHEMBL10611407SCHEMBL10612667
Database identifiers
- PubChem CID
- 53946512
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 452
Related reactions
2 records
Compound notes
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