1,1,1,2,3,3,3-heptafluoropropane-2-sulfinate

C3F7O2S- — CID 23123845

IUPAC1,1,1,2,3,3,3-heptafluoropropane-2-sulfinate
SMILESO=S([O-])C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF7O2S/c4-1(13(11)12,2(5,6)7)3(8,9)10/h(H,11,12)/p-1
InChIKeyRBZAZOZBHYPDSI-UHFFFAOYSA-M
MW233.08 g/mol
LogP1.66
Rot. Bonds1

About 1,1,1,2,3,3,3-heptafluoropropane-2-sulfinate

1,1,1,2,3,3,3-heptafluoropropane-2-sulfinate (PubChem CID 23123845) has the molecular formula C3F7O2S- and a molecular weight of 233.08 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoropropane-2-sulfinate.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoropropane-2-sulfinate
PubChem CID23123845
Molecular FormulaC3F7O2S-
Molecular Weight233.08 g/mol
Exact Mass232.95
IUPAC Name1,1,1,2,3,3,3-heptafluoropropane-2-sulfinate
SMILESO=S([O-])C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF7O2S/c4-1(13(11)12,2(5,6)7)3(8,9)10/h(H,11,12)/p-1
InChIKeyRBZAZOZBHYPDSI-UHFFFAOYSA-M
XLogP1.66
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 51.66
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 1,1,1,2,3,3,3-heptafluoropropane-2-sulfinate?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoropropane-2-sulfinate (CID 23123845) is 1,1,1,2,3,3,3-heptafluoropropane-2-sulfinate.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoropropane-2-sulfinate?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoropropane-2-sulfinate is O=S([O-])C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoropropane-2-sulfinate?
The InChIKey is RBZAZOZBHYPDSI-UHFFFAOYSA-M. The full InChI is InChI=1S/C3HF7O2S/c4-1(13(11)12,2(5,6)7)3(8,9)10/h(H,11,12)/p-1.
What are the key properties of 1,1,1,2,3,3,3-heptafluoropropane-2-sulfinate?
1,1,1,2,3,3,3-heptafluoropropane-2-sulfinate has a molecular weight of 233.08 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoropropane-2-sulfinate is sourced from PubChem (CID 23123845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).