1-fluorocyclopropane-1-sulfinic acid

C3H5FO2S — CID 118589487

IUPAC1-fluorocyclopropane-1-sulfinic acid
SMILESO=S(O)C1(F)CC1
InChIInChI=1S/C3H5FO2S/c4-3(1-2-3)7(5)6/h1-2H2,(H,5,6)
InChIKeyZCCGGMICMOXVNY-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.67
Rot. Bonds1

About 1-fluorocyclopropane-1-sulfinic acid

1-fluorocyclopropane-1-sulfinic acid (PubChem CID 118589487) has the molecular formula C3H5FO2S and a molecular weight of 124.14 g/mol. Its IUPAC name is 1-fluorocyclopropane-1-sulfinic acid.

Molecular Properties

Compound Name1-fluorocyclopropane-1-sulfinic acid
PubChem CID118589487
Molecular FormulaC3H5FO2S
Molecular Weight124.14 g/mol
Exact Mass124.00
IUPAC Name1-fluorocyclopropane-1-sulfinic acid
SMILESO=S(O)C1(F)CC1
InChIInChI=1S/C3H5FO2S/c4-3(1-2-3)7(5)6/h1-2H2,(H,5,6)
InChIKeyZCCGGMICMOXVNY-UHFFFAOYSA-N
XLogP0.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-fluorocyclopropane-1-sulfinic acid?
The IUPAC name of 1-fluorocyclopropane-1-sulfinic acid (CID 118589487) is 1-fluorocyclopropane-1-sulfinic acid.
What is the SMILES notation for 1-fluorocyclopropane-1-sulfinic acid?
The canonical SMILES for 1-fluorocyclopropane-1-sulfinic acid is O=S(O)C1(F)CC1.
What is the InChIKey of 1-fluorocyclopropane-1-sulfinic acid?
The InChIKey is ZCCGGMICMOXVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO2S/c4-3(1-2-3)7(5)6/h1-2H2,(H,5,6).
What are the key properties of 1-fluorocyclopropane-1-sulfinic acid?
1-fluorocyclopropane-1-sulfinic acid has a molecular weight of 124.14 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorocyclopropane-1-sulfinic acid is sourced from PubChem (CID 118589487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).