2,2,3,4,4,4-hexafluorobutane-1-sulfinate

C4H3F6O2S- — CID 118035288

IUPAC2,2,3,4,4,4-hexafluorobutane-1-sulfinate
SMILESO=S([O-])CC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C4H4F6O2S/c5-2(4(8,9)10)3(6,7)1-13(11)12/h2H,1H2,(H,11,12)/p-1
InChIKeyCKGZFSNYTGHORG-UHFFFAOYSA-M
MW229.12 g/mol
LogP1.40
Rot. Bonds3

About 2,2,3,4,4,4-hexafluorobutane-1-sulfinate

2,2,3,4,4,4-hexafluorobutane-1-sulfinate (PubChem CID 118035288) has the molecular formula C4H3F6O2S- and a molecular weight of 229.12 g/mol. Its IUPAC name is 2,2,3,4,4,4-hexafluorobutane-1-sulfinate.

Molecular Properties

Compound Name2,2,3,4,4,4-hexafluorobutane-1-sulfinate
PubChem CID118035288
Molecular FormulaC4H3F6O2S-
Molecular Weight229.12 g/mol
Exact Mass228.98
IUPAC Name2,2,3,4,4,4-hexafluorobutane-1-sulfinate
SMILESO=S([O-])CC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C4H4F6O2S/c5-2(4(8,9)10)3(6,7)1-13(11)12/h2H,1H2,(H,11,12)/p-1
InChIKeyCKGZFSNYTGHORG-UHFFFAOYSA-M
XLogP1.40
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4,4-hexafluorobutane-1-sulfinate?
The IUPAC name of 2,2,3,4,4,4-hexafluorobutane-1-sulfinate (CID 118035288) is 2,2,3,4,4,4-hexafluorobutane-1-sulfinate.
What is the SMILES notation for 2,2,3,4,4,4-hexafluorobutane-1-sulfinate?
The canonical SMILES for 2,2,3,4,4,4-hexafluorobutane-1-sulfinate is O=S([O-])CC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 2,2,3,4,4,4-hexafluorobutane-1-sulfinate?
The InChIKey is CKGZFSNYTGHORG-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4F6O2S/c5-2(4(8,9)10)3(6,7)1-13(11)12/h2H,1H2,(H,11,12)/p-1.
What are the key properties of 2,2,3,4,4,4-hexafluorobutane-1-sulfinate?
2,2,3,4,4,4-hexafluorobutane-1-sulfinate has a molecular weight of 229.12 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4,4-hexafluorobutane-1-sulfinate is sourced from PubChem (CID 118035288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).