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Basic information
- Standard SMILES
COc1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1- InChIKey
ITOUTAINKSEZDI-UHFFFAOYSA-N- Molecular formula
- C13H11F5OS
- Average molar mass
- 310.28 g/mol
- Monoisotopic mass
- 310.04507695
Names & identifiers
- Preferred name
- 3-Methoxy-4'-(pentafluorosulfanyl)biphenyl
- IUPAC
- pentafluoro-[4-(3-methoxyphenyl)phenyl]-lambda6-sulfane
Names & synonyms
SCHEMBL17431608ITOUTAINKSEZDI-UHFFFAOYSA-N3-methoxy-4'-(pentafluorosulfanyl)biphenyl3-methoxy-4'-(pentafluorosulfanyl) biphenyl
Database identifiers
- PubChem CID
- 118656366
Properties
Computed structural propertiesFilling in
- XLogP
- 6.8
- Topological polar surface area
- 10.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Related reactions
2 records
Compound notes
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