(1Z,3Z,5Z)-1,2,4,5,6-pentafluorohexa-1,3,5-triene-3-sulfinate

C6H2F5O2S- — CID 89389989

IUPAC(1Z,3Z,5Z)-1,2,4,5,6-pentafluorohexa-1,3,5-triene-3-sulfinate
SMILESO=S([O-])C(/C(F)=C/F)=C(F)/C(F)=C/F
InChIInChI=1S/C6H3F5O2S/c7-1-3(9)5(11)6(14(12)13)4(10)2-8/h1-2H,(H,12,13)/p-1/b3-1-,4-2-,6-5-
InChIKeyOPMFCYXWAANKCM-FWNKLROWSA-M
MW233.14 g/mol
LogP2.61
Rot. Bonds3

About (1Z,3Z,5Z)-1,2,4,5,6-pentafluorohexa-1,3,5-triene-3-sulfinate

(1Z,3Z,5Z)-1,2,4,5,6-pentafluorohexa-1,3,5-triene-3-sulfinate (PubChem CID 89389989) has the molecular formula C6H2F5O2S- and a molecular weight of 233.14 g/mol. Its IUPAC name is (1Z,3Z,5Z)-1,2,4,5,6-pentafluorohexa-1,3,5-triene-3-sulfinate.

Molecular Properties

Compound Name(1Z,3Z,5Z)-1,2,4,5,6-pentafluorohexa-1,3,5-triene-3-sulfinate
PubChem CID89389989
Molecular FormulaC6H2F5O2S-
Molecular Weight233.14 g/mol
Exact Mass232.97
IUPAC Name(1Z,3Z,5Z)-1,2,4,5,6-pentafluorohexa-1,3,5-triene-3-sulfinate
SMILESO=S([O-])C(/C(F)=C/F)=C(F)/C(F)=C/F
InChIInChI=1S/C6H3F5O2S/c7-1-3(9)5(11)6(14(12)13)4(10)2-8/h1-2H,(H,12,13)/p-1/b3-1-,4-2-,6-5-
InChIKeyOPMFCYXWAANKCM-FWNKLROWSA-M
XLogP2.61
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z)-1,2,4,5,6-pentafluorohexa-1,3,5-triene-3-sulfinate?
The IUPAC name of (1Z,3Z,5Z)-1,2,4,5,6-pentafluorohexa-1,3,5-triene-3-sulfinate (CID 89389989) is (1Z,3Z,5Z)-1,2,4,5,6-pentafluorohexa-1,3,5-triene-3-sulfinate.
What is the SMILES notation for (1Z,3Z,5Z)-1,2,4,5,6-pentafluorohexa-1,3,5-triene-3-sulfinate?
The canonical SMILES for (1Z,3Z,5Z)-1,2,4,5,6-pentafluorohexa-1,3,5-triene-3-sulfinate is O=S([O-])C(/C(F)=C/F)=C(F)/C(F)=C/F.
What is the InChIKey of (1Z,3Z,5Z)-1,2,4,5,6-pentafluorohexa-1,3,5-triene-3-sulfinate?
The InChIKey is OPMFCYXWAANKCM-FWNKLROWSA-M. The full InChI is InChI=1S/C6H3F5O2S/c7-1-3(9)5(11)6(14(12)13)4(10)2-8/h1-2H,(H,12,13)/p-1/b3-1-,4-2-,6-5-.
What are the key properties of (1Z,3Z,5Z)-1,2,4,5,6-pentafluorohexa-1,3,5-triene-3-sulfinate?
(1Z,3Z,5Z)-1,2,4,5,6-pentafluorohexa-1,3,5-triene-3-sulfinate has a molecular weight of 233.14 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z)-1,2,4,5,6-pentafluorohexa-1,3,5-triene-3-sulfinate is sourced from PubChem (CID 89389989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).