1,1,2,2,3,3,3-heptafluoropropane-1-sulfinic acid

C3HF7O2S — CID 22186452

IUPAC1,1,2,2,3,3,3-heptafluoropropane-1-sulfinic acid
SMILESO=S(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF7O2S/c4-1(5,2(6,7)8)3(9,10)13(11)12/h(H,11,12)
InChIKeyXSCWUQGTFQIWOB-UHFFFAOYSA-N
MW234.09 g/mol
LogP2.00
Rot. Bonds2

About 1,1,2,2,3,3,3-heptafluoropropane-1-sulfinic acid

1,1,2,2,3,3,3-heptafluoropropane-1-sulfinic acid (PubChem CID 22186452) has the molecular formula C3HF7O2S and a molecular weight of 234.09 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoropropane-1-sulfinic acid.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoropropane-1-sulfinic acid
PubChem CID22186452
Molecular FormulaC3HF7O2S
Molecular Weight234.09 g/mol
Exact Mass233.96
IUPAC Name1,1,2,2,3,3,3-heptafluoropropane-1-sulfinic acid
SMILESO=S(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF7O2S/c4-1(5,2(6,7)8)3(9,10)13(11)12/h(H,11,12)
InChIKeyXSCWUQGTFQIWOB-UHFFFAOYSA-N
XLogP2.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfinic acid
CID 20977184
CID 170845218
CID 170845218
1,1,2,2,3,3-hexafluoro-3-sulfanylpropane-1-sulfinic acid
CID 162554930
1,1,2,2,3-pentafluoro-3-methylbutane-1-sulfinic acid
CID 87602942
1,1,1,2,3,3,3-heptafluoropropane-2-sulfinic acid
CID 12522022
CID 131886742
CID 131886742
1,1,2,2,3,3-hexafluoro-3-(methylideneamino)sulfonylpropane-1-sulfinic acid
CID 89288958
1,1,2,2,3-pentafluoro-3-sulfamoylpent-4-ene-1-sulfinic acid
CID 155480913
zinc bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfinate)
CID 135315333
1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propane-1-sulfinic acid
CID 123339020
1,1,1,3,3,3-hexafluoro-2-methylpropane-2-sulfinic acid
CID 166882534
(NE)-N-(2,2-dimethylpropylidene)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide
CID 53342829

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoropropane-1-sulfinic acid?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoropropane-1-sulfinic acid (CID 22186452) is 1,1,2,2,3,3,3-heptafluoropropane-1-sulfinic acid.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoropropane-1-sulfinic acid?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoropropane-1-sulfinic acid is O=S(O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoropropane-1-sulfinic acid?
The InChIKey is XSCWUQGTFQIWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF7O2S/c4-1(5,2(6,7)8)3(9,10)13(11)12/h(H,11,12).
What are the key properties of 1,1,2,2,3,3,3-heptafluoropropane-1-sulfinic acid?
1,1,2,2,3,3,3-heptafluoropropane-1-sulfinic acid has a molecular weight of 234.09 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoropropane-1-sulfinic acid is sourced from PubChem (CID 22186452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).