1-fluorocyclopropane-1-sulfinate

C3H4FO2S- — CID 118589486

IUPAC1-fluorocyclopropane-1-sulfinate
SMILESO=S([O-])C1(F)CC1
InChIInChI=1S/C3H5FO2S/c4-3(1-2-3)7(5)6/h1-2H2,(H,5,6)/p-1
InChIKeyZCCGGMICMOXVNY-UHFFFAOYSA-M
MW123.13 g/mol
LogP0.33
Rot. Bonds1

About 1-fluorocyclopropane-1-sulfinate

1-fluorocyclopropane-1-sulfinate (PubChem CID 118589486) has the molecular formula C3H4FO2S- and a molecular weight of 123.13 g/mol. Its IUPAC name is 1-fluorocyclopropane-1-sulfinate.

Molecular Properties

Compound Name1-fluorocyclopropane-1-sulfinate
PubChem CID118589486
Molecular FormulaC3H4FO2S-
Molecular Weight123.13 g/mol
Exact Mass122.99
IUPAC Name1-fluorocyclopropane-1-sulfinate
SMILESO=S([O-])C1(F)CC1
InChIInChI=1S/C3H5FO2S/c4-3(1-2-3)7(5)6/h1-2H2,(H,5,6)/p-1
InChIKeyZCCGGMICMOXVNY-UHFFFAOYSA-M
XLogP0.33
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.13
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Sodium 1-fluorocyclopropane-1-sulfinate
CID 146441984
2-Fluoropropane-2-sulfinate
CID 18002323
1-Fluorocyclopropanesulfonyl chloride
CID 84764047
2-Fluorocyclopropane-1-sulfinate
CID 118236422
1-Fluorocyclopropane-1-sulfonic acid
CID 118589483
cis-(1S,2R)-2-fluorocyclopropane-1-sulfonate
CID 141658741
trans-(1R,2R)-2-fluorocyclopropane-1-sulfinate
CID 141658745
1-(Fluoromethyl)cyclopropane-1-sulfinate
CID 152748881
1-Fluorocyclopropane-1-sulfinyl chloride
CID 169174082
1-Fluorocyclopropanesulfinic acid
CID 118589487
1-Fluorocyclopropane-1-sulfonyl fluoride
CID 165996720
Sodium 2-fluorocyclopropane-1-sulfinate
CID 138586083

Frequently Asked Questions

What is the IUPAC name of 1-fluorocyclopropane-1-sulfinate?
The IUPAC name of 1-fluorocyclopropane-1-sulfinate (CID 118589486) is 1-fluorocyclopropane-1-sulfinate.
What is the SMILES notation for 1-fluorocyclopropane-1-sulfinate?
The canonical SMILES for 1-fluorocyclopropane-1-sulfinate is O=S([O-])C1(F)CC1.
What is the InChIKey of 1-fluorocyclopropane-1-sulfinate?
The InChIKey is ZCCGGMICMOXVNY-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5FO2S/c4-3(1-2-3)7(5)6/h1-2H2,(H,5,6)/p-1.
What are the key properties of 1-fluorocyclopropane-1-sulfinate?
1-fluorocyclopropane-1-sulfinate has a molecular weight of 123.13 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorocyclopropane-1-sulfinate is sourced from PubChem (CID 118589486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).