1-(2-fluorophenyl)ethanesulfinate

C8H8FO2S- — CID 174586721

IUPAC1-(2-fluorophenyl)ethanesulfinate
SMILESCC(c1ccccc1F)S(=O)[O-]
InChIInChI=1S/C8H9FO2S/c1-6(12(10)11)7-4-2-3-5-8(7)9/h2-6H,1H3,(H,10,11)/p-1
InChIKeyJCAHEWHRTJNNEA-UHFFFAOYSA-M
MW187.22 g/mol
LogP1.77
Rot. Bonds2

About 1-(2-fluorophenyl)ethanesulfinate

1-(2-fluorophenyl)ethanesulfinate (PubChem CID 174586721) has the molecular formula C8H8FO2S- and a molecular weight of 187.22 g/mol. Its IUPAC name is 1-(2-fluorophenyl)ethanesulfinate.

Molecular Properties

Compound Name1-(2-fluorophenyl)ethanesulfinate
PubChem CID174586721
Molecular FormulaC8H8FO2S-
Molecular Weight187.22 g/mol
Exact Mass187.02
IUPAC Name1-(2-fluorophenyl)ethanesulfinate
SMILESCC(c1ccccc1F)S(=O)[O-]
InChIInChI=1S/C8H9FO2S/c1-6(12(10)11)7-4-2-3-5-8(7)9/h2-6H,1H3,(H,10,11)/p-1
InChIKeyJCAHEWHRTJNNEA-UHFFFAOYSA-M
XLogP1.77
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.77
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-[[(R)-[(1R)-1-(2-fluorophenyl)ethyl]sulfinyl]methyl]-1,3,5-trimethylbenzene
CID 97311315
[amino-(2-fluorophenyl)methyl] sulfite
CID 174565028
1-[2-(1-methylimidazol-2-yl)phenyl]ethanesulfinate
CID 174688200
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene
CID 126565772
3-(2-fluorophenyl)butan-2-one
CID 66436572
(2R,3R)-2-fluoro-3-(2-fluorophenyl)butanal
CID 141407367
1-fluoro-2-(1-methyltellanylethyl)benzene
CID 174555913
(1R,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 130128160
(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 66633990
2-(2-fluorophenyl)-3-methylbutanoic acid
CID 62492426

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)ethanesulfinate?
The IUPAC name of 1-(2-fluorophenyl)ethanesulfinate (CID 174586721) is 1-(2-fluorophenyl)ethanesulfinate.
What is the SMILES notation for 1-(2-fluorophenyl)ethanesulfinate?
The canonical SMILES for 1-(2-fluorophenyl)ethanesulfinate is CC(c1ccccc1F)S(=O)[O-].
What is the InChIKey of 1-(2-fluorophenyl)ethanesulfinate?
The InChIKey is JCAHEWHRTJNNEA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9FO2S/c1-6(12(10)11)7-4-2-3-5-8(7)9/h2-6H,1H3,(H,10,11)/p-1.
What are the key properties of 1-(2-fluorophenyl)ethanesulfinate?
1-(2-fluorophenyl)ethanesulfinate has a molecular weight of 187.22 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)ethanesulfinate is sourced from PubChem (CID 174586721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).