4-(3-fluorophenyl)-1H-pyrrole-3-sulfinic acid

C10H8FNO2S — CID 167206957

IUPAC4-(3-fluorophenyl)-1H-pyrrole-3-sulfinic acid
SMILESO=S(O)c1c[nH]cc1-c1cccc(F)c1
InChIInChI=1S/C10H8FNO2S/c11-8-3-1-2-7(4-8)9-5-12-6-10(9)15(13)14/h1-6,12H,(H,13,14)
InChIKeySXOKNVDTQKJMAQ-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.40
Rot. Bonds2

About 4-(3-fluorophenyl)-1H-pyrrole-3-sulfinic acid

4-(3-fluorophenyl)-1H-pyrrole-3-sulfinic acid (PubChem CID 167206957) has the molecular formula C10H8FNO2S and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1H-pyrrole-3-sulfinic acid.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1H-pyrrole-3-sulfinic acid
PubChem CID167206957
Molecular FormulaC10H8FNO2S
Molecular Weight225.24 g/mol
Exact Mass225.03
IUPAC Name4-(3-fluorophenyl)-1H-pyrrole-3-sulfinic acid
SMILESO=S(O)c1c[nH]cc1-c1cccc(F)c1
InChIInChI=1S/C10H8FNO2S/c11-8-3-1-2-7(4-8)9-5-12-6-10(9)15(13)14/h1-6,12H,(H,13,14)
InChIKeySXOKNVDTQKJMAQ-UHFFFAOYSA-N
XLogP2.40
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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6-(3-fluorophenyl)pyridine-2-carboxylic acid
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4-fluoro-3-(3-fluorophenyl)benzoic acid
CID 46312321
2-fluoro-3-(3-fluorophenyl)benzoyl chloride
CID 46312371
2-(3-fluorophenyl)-N-hydroxybenzamide
CID 1393554
2-fluoro-1,4-bis(3-fluorophenyl)benzene
CID 58392571
3-fluoro-4-(3-fluorophenyl)phenol
CID 46312656
2-[2-(3-fluorophenyl)phenyl]propanoic acid
CID 19601785
2-[2-fluoro-3-(3-fluorophenyl)phenyl]-2-hydroxyacetic acid
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CID 46212201

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1H-pyrrole-3-sulfinic acid?
The IUPAC name of 4-(3-fluorophenyl)-1H-pyrrole-3-sulfinic acid (CID 167206957) is 4-(3-fluorophenyl)-1H-pyrrole-3-sulfinic acid.
What is the SMILES notation for 4-(3-fluorophenyl)-1H-pyrrole-3-sulfinic acid?
The canonical SMILES for 4-(3-fluorophenyl)-1H-pyrrole-3-sulfinic acid is O=S(O)c1c[nH]cc1-c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-1H-pyrrole-3-sulfinic acid?
The InChIKey is SXOKNVDTQKJMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2S/c11-8-3-1-2-7(4-8)9-5-12-6-10(9)15(13)14/h1-6,12H,(H,13,14).
What are the key properties of 4-(3-fluorophenyl)-1H-pyrrole-3-sulfinic acid?
4-(3-fluorophenyl)-1H-pyrrole-3-sulfinic acid has a molecular weight of 225.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1H-pyrrole-3-sulfinic acid is sourced from PubChem (CID 167206957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).