2-fluorocyclopropane-1-sulfinic acid

C3H5FO2S — CID 118236423

IUPAC2-fluorocyclopropane-1-sulfinic acid
SMILESO=S(O)C1CC1F
InChIInChI=1S/C3H5FO2S/c4-2-1-3(2)7(5)6/h2-3H,1H2,(H,5,6)
InChIKeyVQDNVHCUGLFSEN-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.32
Rot. Bonds1

About 2-fluorocyclopropane-1-sulfinic acid

2-fluorocyclopropane-1-sulfinic acid (PubChem CID 118236423) has the molecular formula C3H5FO2S and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-fluorocyclopropane-1-sulfinic acid.

Molecular Properties

Compound Name2-fluorocyclopropane-1-sulfinic acid
PubChem CID118236423
Molecular FormulaC3H5FO2S
Molecular Weight124.14 g/mol
Exact Mass124.00
IUPAC Name2-fluorocyclopropane-1-sulfinic acid
SMILESO=S(O)C1CC1F
InChIInChI=1S/C3H5FO2S/c4-2-1-3(2)7(5)6/h2-3H,1H2,(H,5,6)
InChIKeyVQDNVHCUGLFSEN-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
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 2-fluorocyclopropane-1-sulfinic acid?
The IUPAC name of 2-fluorocyclopropane-1-sulfinic acid (CID 118236423) is 2-fluorocyclopropane-1-sulfinic acid.
What is the SMILES notation for 2-fluorocyclopropane-1-sulfinic acid?
The canonical SMILES for 2-fluorocyclopropane-1-sulfinic acid is O=S(O)C1CC1F.
What is the InChIKey of 2-fluorocyclopropane-1-sulfinic acid?
The InChIKey is VQDNVHCUGLFSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO2S/c4-2-1-3(2)7(5)6/h2-3H,1H2,(H,5,6).
What are the key properties of 2-fluorocyclopropane-1-sulfinic acid?
2-fluorocyclopropane-1-sulfinic acid has a molecular weight of 124.14 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorocyclopropane-1-sulfinic acid is sourced from PubChem (CID 118236423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).