2-fluorobut-1-ene-1-sulfinic acid

C4H7FO2S — CID 57054976

IUPAC2-fluorobut-1-ene-1-sulfinic acid
SMILESCCC(F)=CS(=O)O
InChIInChI=1S/C4H7FO2S/c1-2-4(5)3-8(6)7/h3H,2H2,1H3,(H,6,7)
InChIKeyKPJUJILZKJWSQD-UHFFFAOYSA-N
MW138.16 g/mol
LogP1.43
Rot. Bonds2

About 2-fluorobut-1-ene-1-sulfinic acid

2-fluorobut-1-ene-1-sulfinic acid (PubChem CID 57054976) has the molecular formula C4H7FO2S and a molecular weight of 138.16 g/mol. Its IUPAC name is 2-fluorobut-1-ene-1-sulfinic acid.

Molecular Properties

Compound Name2-fluorobut-1-ene-1-sulfinic acid
PubChem CID57054976
Molecular FormulaC4H7FO2S
Molecular Weight138.16 g/mol
Exact Mass138.02
IUPAC Name2-fluorobut-1-ene-1-sulfinic acid
SMILESCCC(F)=CS(=O)O
InChIInChI=1S/C4H7FO2S/c1-2-4(5)3-8(6)7/h3H,2H2,1H3,(H,6,7)
InChIKeyKPJUJILZKJWSQD-UHFFFAOYSA-N
XLogP1.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 51.43
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-fluorobut-1-ene-1-sulfinic acid?
The IUPAC name of 2-fluorobut-1-ene-1-sulfinic acid (CID 57054976) is 2-fluorobut-1-ene-1-sulfinic acid.
What is the SMILES notation for 2-fluorobut-1-ene-1-sulfinic acid?
The canonical SMILES for 2-fluorobut-1-ene-1-sulfinic acid is CCC(F)=CS(=O)O.
What is the InChIKey of 2-fluorobut-1-ene-1-sulfinic acid?
The InChIKey is KPJUJILZKJWSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO2S/c1-2-4(5)3-8(6)7/h3H,2H2,1H3,(H,6,7).
What are the key properties of 2-fluorobut-1-ene-1-sulfinic acid?
2-fluorobut-1-ene-1-sulfinic acid has a molecular weight of 138.16 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobut-1-ene-1-sulfinic acid is sourced from PubChem (CID 57054976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).