3-fluoroprop-2-ene-1-sulfinic acid

C3H5FO2S — CID 91373158

IUPAC3-fluoroprop-2-ene-1-sulfinic acid
SMILESO=S(O)CC=CF
InChIInChI=1S/C3H5FO2S/c4-2-1-3-7(5)6/h1-2H,3H2,(H,5,6)
InChIKeyMLSPDNXVYOJJSN-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.69
Rot. Bonds2

About 3-fluoroprop-2-ene-1-sulfinic acid

3-fluoroprop-2-ene-1-sulfinic acid (PubChem CID 91373158) has the molecular formula C3H5FO2S and a molecular weight of 124.14 g/mol. Its IUPAC name is 3-fluoroprop-2-ene-1-sulfinic acid.

Molecular Properties

Compound Name3-fluoroprop-2-ene-1-sulfinic acid
PubChem CID91373158
Molecular FormulaC3H5FO2S
Molecular Weight124.14 g/mol
Exact Mass124.00
IUPAC Name3-fluoroprop-2-ene-1-sulfinic acid
SMILESO=S(O)CC=CF
InChIInChI=1S/C3H5FO2S/c4-2-1-3-7(5)6/h1-2H,3H2,(H,5,6)
InChIKeyMLSPDNXVYOJJSN-UHFFFAOYSA-N
XLogP0.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.69
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 3-fluoroprop-2-ene-1-sulfinic acid?
The IUPAC name of 3-fluoroprop-2-ene-1-sulfinic acid (CID 91373158) is 3-fluoroprop-2-ene-1-sulfinic acid.
What is the SMILES notation for 3-fluoroprop-2-ene-1-sulfinic acid?
The canonical SMILES for 3-fluoroprop-2-ene-1-sulfinic acid is O=S(O)CC=CF.
What is the InChIKey of 3-fluoroprop-2-ene-1-sulfinic acid?
The InChIKey is MLSPDNXVYOJJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO2S/c4-2-1-3-7(5)6/h1-2H,3H2,(H,5,6).
What are the key properties of 3-fluoroprop-2-ene-1-sulfinic acid?
3-fluoroprop-2-ene-1-sulfinic acid has a molecular weight of 124.14 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoroprop-2-ene-1-sulfinic acid is sourced from PubChem (CID 91373158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).