4-fluorobut-3-ene-2-sulfinic acid

C4H7FO2S — CID 57214293

IUPAC4-fluorobut-3-ene-2-sulfinic acid
SMILESCC(C=CF)S(=O)O
InChIInChI=1S/C4H7FO2S/c1-4(2-3-5)8(6)7/h2-4H,1H3,(H,6,7)
InChIKeyIGSMYCUAQBAULT-UHFFFAOYSA-N
MW138.16 g/mol
LogP1.08
Rot. Bonds2

About 4-fluorobut-3-ene-2-sulfinic acid

4-fluorobut-3-ene-2-sulfinic acid (PubChem CID 57214293) has the molecular formula C4H7FO2S and a molecular weight of 138.16 g/mol. Its IUPAC name is 4-fluorobut-3-ene-2-sulfinic acid.

Molecular Properties

Compound Name4-fluorobut-3-ene-2-sulfinic acid
PubChem CID57214293
Molecular FormulaC4H7FO2S
Molecular Weight138.16 g/mol
Exact Mass138.02
IUPAC Name4-fluorobut-3-ene-2-sulfinic acid
SMILESCC(C=CF)S(=O)O
InChIInChI=1S/C4H7FO2S/c1-4(2-3-5)8(6)7/h2-4H,1H3,(H,6,7)
InChIKeyIGSMYCUAQBAULT-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Pentaene-4-sulfonic acid
CID 88512370
(E)-4-fluorobut-3-ene-2-sulfonic acid
CID 87155801
3-Fluorobut-3-ene-2-sulfonic acid
CID 87156431
3-Fluorobut-3-ene-1-sulfonic acid
CID 87156432
4-Fluorobut-3-ene-1-sulfonic acid
CID 90977669
4-Fluorohex-1-ene-3-sulfinic acid
CID 123901017
4-Fluorobut-3-ene-2-sulfonic acid
CID 173019284
1,1,1-Trifluorobut-3-ene-2-sulfonic acid
CID 174517361
4-Fluorobut-1-ene-1,4-disulfonic acid
CID 174808204
3-Fluorobut-1-ene-1,4-disulfonic acid
CID 174812196
2-Fluorobut-1-ene-1-sulfonic acid
CID 175496750
2-Fluorobut-1-ene-1-sulfinic acid
CID 57054976

Frequently Asked Questions

What is the IUPAC name of 4-fluorobut-3-ene-2-sulfinic acid?
The IUPAC name of 4-fluorobut-3-ene-2-sulfinic acid (CID 57214293) is 4-fluorobut-3-ene-2-sulfinic acid.
What is the SMILES notation for 4-fluorobut-3-ene-2-sulfinic acid?
The canonical SMILES for 4-fluorobut-3-ene-2-sulfinic acid is CC(C=CF)S(=O)O.
What is the InChIKey of 4-fluorobut-3-ene-2-sulfinic acid?
The InChIKey is IGSMYCUAQBAULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO2S/c1-4(2-3-5)8(6)7/h2-4H,1H3,(H,6,7).
What are the key properties of 4-fluorobut-3-ene-2-sulfinic acid?
4-fluorobut-3-ene-2-sulfinic acid has a molecular weight of 138.16 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobut-3-ene-2-sulfinic acid is sourced from PubChem (CID 57214293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).