2-fluoro-4-phenylbenzenesulfinic acid

C12H9FO2S — CID 174978906

IUPAC2-fluoro-4-phenylbenzenesulfinic acid
SMILESO=S(O)c1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C12H9FO2S/c13-11-8-10(6-7-12(11)16(14)15)9-4-2-1-3-5-9/h1-8H,(H,14,15)
InChIKeyDKXSRRMKUMJMOW-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.07
Rot. Bonds2

About 2-fluoro-4-phenylbenzenesulfinic acid

2-fluoro-4-phenylbenzenesulfinic acid (PubChem CID 174978906) has the molecular formula C12H9FO2S and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-fluoro-4-phenylbenzenesulfinic acid.

Molecular Properties

Compound Name2-fluoro-4-phenylbenzenesulfinic acid
PubChem CID174978906
Molecular FormulaC12H9FO2S
Molecular Weight236.27 g/mol
Exact Mass236.03
IUPAC Name2-fluoro-4-phenylbenzenesulfinic acid
SMILESO=S(O)c1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C12H9FO2S/c13-11-8-10(6-7-12(11)16(14)15)9-4-2-1-3-5-9/h1-8H,(H,14,15)
InChIKeyDKXSRRMKUMJMOW-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.07
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-fluoro-4-phenylbenzenesulfinic acid?
The IUPAC name of 2-fluoro-4-phenylbenzenesulfinic acid (CID 174978906) is 2-fluoro-4-phenylbenzenesulfinic acid.
What is the SMILES notation for 2-fluoro-4-phenylbenzenesulfinic acid?
The canonical SMILES for 2-fluoro-4-phenylbenzenesulfinic acid is O=S(O)c1ccc(-c2ccccc2)cc1F.
What is the InChIKey of 2-fluoro-4-phenylbenzenesulfinic acid?
The InChIKey is DKXSRRMKUMJMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO2S/c13-11-8-10(6-7-12(11)16(14)15)9-4-2-1-3-5-9/h1-8H,(H,14,15).
What are the key properties of 2-fluoro-4-phenylbenzenesulfinic acid?
2-fluoro-4-phenylbenzenesulfinic acid has a molecular weight of 236.27 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-phenylbenzenesulfinic acid is sourced from PubChem (CID 174978906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).