2-(2-fluoro-3-methylphenyl)ethanesulfinic acid

C9H11FO2S — CID 67547055

IUPAC2-(2-fluoro-3-methylphenyl)ethanesulfinic acid
SMILESCc1cccc(CCS(=O)O)c1F
InChIInChI=1S/C9H11FO2S/c1-7-3-2-4-8(9(7)10)5-6-13(11)12/h2-4H,5-6H2,1H3,(H,11,12)
InChIKeyFWIXFAFTXURZMV-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.90
Rot. Bonds3

About 2-(2-fluoro-3-methylphenyl)ethanesulfinic acid

2-(2-fluoro-3-methylphenyl)ethanesulfinic acid (PubChem CID 67547055) has the molecular formula C9H11FO2S and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenyl)ethanesulfinic acid.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenyl)ethanesulfinic acid
PubChem CID67547055
Molecular FormulaC9H11FO2S
Molecular Weight202.25 g/mol
Exact Mass202.05
IUPAC Name2-(2-fluoro-3-methylphenyl)ethanesulfinic acid
SMILESCc1cccc(CCS(=O)O)c1F
InChIInChI=1S/C9H11FO2S/c1-7-3-2-4-8(9(7)10)5-6-13(11)12/h2-4H,5-6H2,1H3,(H,11,12)
InChIKeyFWIXFAFTXURZMV-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.90
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

2-(2-fluoro-3-methylphenyl)ethanesulfinate
CID 67547054
2-fluoro-1-methyl-3-propylbenzene
CID 54557935
4-(2-fluoro-3-methylphenyl)butanoic acid
CID 83698983
1-chloro-3-(2-fluoro-3-methylphenyl)propan-2-one
CID 130881857
3-(2-fluoro-3-methylphenyl)propan-1-amine
CID 70348406
1-(3-chlorobutyl)-2-fluoro-3-methylbenzene
CID 130921212
methyl 2-(2-fluoro-3-methylphenyl)acetate
CID 130064946
methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate
CID 171238438
2-fluoro-1-methyl-3-(propylsulfonylmethyl)benzene
CID 18337029
1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene
CID 130411639
2-(3,4-difluorophenyl)ethanesulfinic acid
CID 69424643
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenyl)ethanesulfinic acid?
The IUPAC name of 2-(2-fluoro-3-methylphenyl)ethanesulfinic acid (CID 67547055) is 2-(2-fluoro-3-methylphenyl)ethanesulfinic acid.
What is the SMILES notation for 2-(2-fluoro-3-methylphenyl)ethanesulfinic acid?
The canonical SMILES for 2-(2-fluoro-3-methylphenyl)ethanesulfinic acid is Cc1cccc(CCS(=O)O)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenyl)ethanesulfinic acid?
The InChIKey is FWIXFAFTXURZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2S/c1-7-3-2-4-8(9(7)10)5-6-13(11)12/h2-4H,5-6H2,1H3,(H,11,12).
What are the key properties of 2-(2-fluoro-3-methylphenyl)ethanesulfinic acid?
2-(2-fluoro-3-methylphenyl)ethanesulfinic acid has a molecular weight of 202.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenyl)ethanesulfinic acid is sourced from PubChem (CID 67547055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).