Basic information
- CAS
100333-46-8- Standard SMILES
CC12CCCCC1SC(F)(F)C2(F)F- InChIKey
PWPAHHYVPWMKQF-UHFFFAOYSA-N- Molecular formula
- C9H12F4S
- Average molar mass
- 228.25 g/mol
- Monoisotopic mass
- 228.0595842
Names & identifiers
- Preferred name
- 2,2,3,3-Tetrafluoro-3a-methyloctahydro-1-benzothiophene
- IUPAC
- 2,2,3,3-tetrafluoro-3a-methyl-5,6,7,7a-tetrahydro-4H-1-benzothiophene
- English name
- BENZO(b)THIOPHENE, OCTAHYDRO-3a-METHYL-2,2,3,3-TETRAFLUORO-
- Molecular weight
- 0
Names & synonyms
100333-46-82,2,3,3-tetrafluoro-3a-methyloctahydro-1-benzothiopheneDTXSID70905391RefChem:1058967DTXCID1013344952,2,3,3-Tetrafluoro-3a-methyl-2,3,4,5,6,7-hexahydro-benzothiophene2,2,3,3-tetrafluoro-3a-methyl-5,6,7,7a-tetrahydro-4H-1-benzothiopheneNSC168445BENZO(b)THIOPHENE, OCTAHYDRO-3a-METHYL-2,2,3,3-TETRAFLUORO-NSC-168445
Database identifiers
- CAS
100333-46-8- PubChem CID
- 57788
- DTXSID
DTXSID70905391- Nikkaji
- J67.796E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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