2-fluorosulfonylethanesulfinic acid

C2H5FO4S2 — CID 175141191

IUPAC2-fluorosulfonylethanesulfinic acid
SMILESO=S(O)CCS(=O)(=O)F
InChIInChI=1S/C2H5FO4S2/c3-9(6,7)2-1-8(4)5/h1-2H2,(H,4,5)
InChIKeyFCHVFGXNWCETBQ-UHFFFAOYSA-N
MW176.19 g/mol
LogP-0.49
Rot. Bonds3

About 2-fluorosulfonylethanesulfinic acid

2-fluorosulfonylethanesulfinic acid (PubChem CID 175141191) has the molecular formula C2H5FO4S2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 2-fluorosulfonylethanesulfinic acid.

Molecular Properties

Compound Name2-fluorosulfonylethanesulfinic acid
PubChem CID175141191
Molecular FormulaC2H5FO4S2
Molecular Weight176.19 g/mol
Exact Mass175.96
IUPAC Name2-fluorosulfonylethanesulfinic acid
SMILESO=S(O)CCS(=O)(=O)F
InChIInChI=1S/C2H5FO4S2/c3-9(6,7)2-1-8(4)5/h1-2H2,(H,4,5)
InChIKeyFCHVFGXNWCETBQ-UHFFFAOYSA-N
XLogP-0.49
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-disulfinic acid
CID 15180980
2-fluoroethanesulfinic acid;yttrium
CID 59841318
pentane-1,5-disulfonyl fluoride
CID 126970733
4-[2-(4-sulfinobutylsulfanylsulfonyl)ethylsulfonylsulfanyl]butane-1-sulfinic acid
CID 121284672
2-bromoethanesulfonyl fluoride
CID 87324198
2-[hydroxy(propan-2-yl)amino]ethanesulfinic acid
CID 23382885
3-chloro-3,3-difluoropropane-1-sulfinic acid
CID 165450263
CID 174002978
CID 174002978
CID 175218278
CID 175218278
sulfuric acid;sulfurous acid
CID 172712432
4-sulfanylbutane-1-sulfinic acid
CID 12725657
3,4,4-tribromobut-3-ene-1-sulfinic acid
CID 123977911

Frequently Asked Questions

What is the IUPAC name of 2-fluorosulfonylethanesulfinic acid?
The IUPAC name of 2-fluorosulfonylethanesulfinic acid (CID 175141191) is 2-fluorosulfonylethanesulfinic acid.
What is the SMILES notation for 2-fluorosulfonylethanesulfinic acid?
The canonical SMILES for 2-fluorosulfonylethanesulfinic acid is O=S(O)CCS(=O)(=O)F.
What is the InChIKey of 2-fluorosulfonylethanesulfinic acid?
The InChIKey is FCHVFGXNWCETBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5FO4S2/c3-9(6,7)2-1-8(4)5/h1-2H2,(H,4,5).
What are the key properties of 2-fluorosulfonylethanesulfinic acid?
2-fluorosulfonylethanesulfinic acid has a molecular weight of 176.19 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorosulfonylethanesulfinic acid is sourced from PubChem (CID 175141191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).