2-(2-fluoro-3-methylphenyl)ethanesulfinate

C9H10FO2S- — CID 67547054

IUPAC2-(2-fluoro-3-methylphenyl)ethanesulfinate
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)/p-1
InChIKeyFWIXFAFTXURZMV-UHFFFAOYSA-M
MW201.24 g/mol
LogP1.56
Rot. Bonds3

About 2-(2-fluoro-3-methylphenyl)ethanesulfinate

2-(2-fluoro-3-methylphenyl)ethanesulfinate (PubChem CID 67547054) has the molecular formula C9H10FO2S- and a molecular weight of 201.24 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenyl)ethanesulfinate.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenyl)ethanesulfinate
PubChem CID67547054
Molecular FormulaC9H10FO2S-
Molecular Weight201.24 g/mol
Exact Mass201.04
IUPAC Name2-(2-fluoro-3-methylphenyl)ethanesulfinate
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)/p-1
InChIKeyFWIXFAFTXURZMV-UHFFFAOYSA-M
XLogP1.56
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-3-methylphenyl)ethanesulfinic acid
CID 67547055
2-fluoro-1-methyl-3-propylbenzene
CID 54557935
1-(3-chlorobutyl)-2-fluoro-3-methylbenzene
CID 130921212
3-(2-fluoro-3-methylphenyl)propan-1-amine
CID 70348406
4-(2-fluoro-3-methylphenyl)butanoic acid
CID 83698983
1-chloro-3-(2-fluoro-3-methylphenyl)propan-2-one
CID 130881857
2-(1,3-dimethylpyrrol-2-yl)ethanesulfinate
CID 66972788
methyl 2-(2-fluoro-3-methylphenyl)acetate
CID 130064946
(2-fluoro-6-propylphenyl)methanesulfinate
CID 174512051
2-fluoro-1-methyl-3-(propylsulfonylmethyl)benzene
CID 18337029
1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene
CID 130411639
chloromethane;2-fluoro-1,3-dimethylbenzene
CID 144572529

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenyl)ethanesulfinate?
The IUPAC name of 2-(2-fluoro-3-methylphenyl)ethanesulfinate (CID 67547054) is 2-(2-fluoro-3-methylphenyl)ethanesulfinate.
What is the SMILES notation for 2-(2-fluoro-3-methylphenyl)ethanesulfinate?
The canonical SMILES for 2-(2-fluoro-3-methylphenyl)ethanesulfinate is Cc1cccc(CCS(=O)[O-])c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenyl)ethanesulfinate?
The InChIKey is FWIXFAFTXURZMV-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-(2-fluoro-3-methylphenyl)ethanesulfinate?
2-(2-fluoro-3-methylphenyl)ethanesulfinate has a molecular weight of 201.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenyl)ethanesulfinate is sourced from PubChem (CID 67547054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).