1,2-Bis-(4-sulphophenoxy)-3,3,4,4,5,5-hexafluorocyclopent-1-ene

HCID 20072049
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Basic information

Standard SMILES
O=S(=O)(O)c1ccc(OC2=C(Oc3ccc(S(=O)(=O)O)cc3)C(F)(F)C(F)(F)C2(F)F)cc1
InChIKey
QKNLGXLKMKDXQK-UHFFFAOYSA-N
Molecular formula
C17H10F6O8S2
Average molar mass
520.4 g/mol
Monoisotopic mass
519.97212859

Names & identifiers

Preferred name
1,2-Bis-(4-sulphophenoxy)-3,3,4,4,5,5-hexafluorocyclopent-1-ene
IUPAC
4-[3,3,4,4,5,5-hexafluoro-2-(4-sulfophenoxy)cyclopenten-1-yl]oxybenzenesulfonic acid

Names & synonyms

1,2-bis-(4-sulphophenoxy)-3,3,4,4,5,5-hexafluorocyclopent-1-eneSCHEMBL9496243

Database identifiers

PubChem CID
20072049

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
144 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
14
Rotatable bonds
6
Heavy atoms
33

Related reactions

1 records
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Compound notes

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