3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinic acid

C7H9FO3S2 — CID 146570527

IUPAC3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinic acid
SMILESCC(C)(O)c1cc(F)c(S(=O)O)s1
InChIInChI=1S/C7H9FO3S2/c1-7(2,9)5-3-4(8)6(12-5)13(10)11/h3,9H,1-2H3,(H,10,11)
InChIKeyGWPCNFXLGOTGDM-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.70
Rot. Bonds2

About 3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinic acid

3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinic acid (PubChem CID 146570527) has the molecular formula C7H9FO3S2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinic acid.

Molecular Properties

Compound Name3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinic acid
PubChem CID146570527
Molecular FormulaC7H9FO3S2
Molecular Weight224.28 g/mol
Exact Mass224.00
IUPAC Name3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinic acid
SMILESCC(C)(O)c1cc(F)c(S(=O)O)s1
InChIInChI=1S/C7H9FO3S2/c1-7(2,9)5-3-4(8)6(12-5)13(10)11/h3,9H,1-2H3,(H,10,11)
InChIKeyGWPCNFXLGOTGDM-UHFFFAOYSA-N
XLogP1.70
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide
CID 137459115
3-Fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide
CID 142522466
[Amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-lambda6-sulfanylidene]carbamic acid
CID 146570500
2-(4-Fluorothiophen-2-yl)propan-2-ol
CID 146570514
(S)-3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide
CID 146570551
2-[5-(Aminosulfonimidoyl)-4-fluorothiophen-2-yl]propan-2-ol
CID 146571381
5-(1,2-Dihydroxypropan-2-yl)-3-fluorothiophene-2-sulfonamide
CID 146571389
5-[(2S)-1,2-dihydroxypropan-2-yl]-3-fluorothiophene-2-sulfonamide
CID 146571390
2-(4-Fluoro-5-methylthiophen-2-yl)propan-2-ol
CID 146610567
[Amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-lambda6-sulfanylidene]urea
CID 146617477
N-[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-lambda6-sulfanylidene]acetamide
CID 146617691
4-Fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide
CID 146618217

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinic acid?
The IUPAC name of 3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinic acid (CID 146570527) is 3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinic acid.
What is the SMILES notation for 3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinic acid?
The canonical SMILES for 3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinic acid is CC(C)(O)c1cc(F)c(S(=O)O)s1.
What is the InChIKey of 3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinic acid?
The InChIKey is GWPCNFXLGOTGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO3S2/c1-7(2,9)5-3-4(8)6(12-5)13(10)11/h3,9H,1-2H3,(H,10,11).
What are the key properties of 3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinic acid?
3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinic acid has a molecular weight of 224.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinic acid is sourced from PubChem (CID 146570527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).