Basic information
- CAS
362-57-2- Standard SMILES
O=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1csc2ccccc12- InChIKey
MDUFGROXFHHGDP-UHFFFAOYSA-N- Molecular formula
- C14H7F7O2S
- Average molar mass
- 372.26 g/mol
- Monoisotopic mass
- 372.00549777
Names & identifiers
- Preferred name
- 1,3-Hexanedione, 1-benzo[b]thien-3-yl-4,4,5,5,6,6,6-heptafluoro-
- IUPAC
- 1-(1-benzothiophen-3-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione
Names & synonyms
362-57-21,3-Hexanedione, 1-benzo[b]thien-3-yl-4,4,5,5,6,6,6-heptafluoro-NSC803971-(1-benzothiophen-3-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dioneDTXSID40292124NSC-80397DS-0086031, 1-benzo[b]thien-3-yl-4,4,5,5,6,6,6-heptafluoro-1-Benzo[b]thien-3-yl-4,4,5,5,6,6,6-heptafluoro-1,3-hexanedione1-benzothiophen-3-yl-4,4,5,5,6,6,6-heptafluoro-hexane-1,3-dione
Database identifiers
- CAS
362-57-2- PubChem CID
- 255142
- DTXSID
DTXSID40292124
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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