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Basic information
- Standard SMILES
O=S(=O)(/C=C/c1ccc(F)cc1F)Cc1ccc(F)cc1- InChIKey
NXLVMMFSYHOBNA-BQYQJAHWSA-N- Molecular formula
- C15H11F3O2S
- Average molar mass
- 312.3 g/mol
- Monoisotopic mass
- 312.04318525
Names & identifiers
- Preferred name
- E-2,4-difluorostyryl 4-fluorobenzyl sulfone
- IUPAC
- 2,4-difluoro-1-[(E)-2-[(4-fluorophenyl)methylsulfonyl]ethenyl]benzene
Names & synonyms
SCHEMBL1195461NXLVMMFSYHOBNA-BQYQJAHWSA-NE-2,4-difluorostyryl 4-fluorobenzyl sulfone(E)-2,4-difluorostyryl 4-fluorobenzyl sulfone
Database identifiers
- PubChem CID
- 9883232
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 450
Related reactions
5 records
Compound notes
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