[2-fluoro-5-(hydroxymethyl)phenyl]methanesulfinate

C8H8FO3S- — CID 174834928

IUPAC[2-fluoro-5-(hydroxymethyl)phenyl]methanesulfinate
SMILESO=S([O-])Cc1cc(CO)ccc1F
InChIInChI=1S/C8H9FO3S/c9-8-2-1-6(4-10)3-7(8)5-13(11)12/h1-3,10H,4-5H2,(H,11,12)/p-1
InChIKeyFIJJHFHAEOEWIC-UHFFFAOYSA-M
MW203.21 g/mol
LogP0.70
Rot. Bonds3

About [2-fluoro-5-(hydroxymethyl)phenyl]methanesulfinate

[2-fluoro-5-(hydroxymethyl)phenyl]methanesulfinate (PubChem CID 174834928) has the molecular formula C8H8FO3S- and a molecular weight of 203.21 g/mol. Its IUPAC name is [2-fluoro-5-(hydroxymethyl)phenyl]methanesulfinate.

Molecular Properties

Compound Name[2-fluoro-5-(hydroxymethyl)phenyl]methanesulfinate
PubChem CID174834928
Molecular FormulaC8H8FO3S-
Molecular Weight203.21 g/mol
Exact Mass203.02
IUPAC Name[2-fluoro-5-(hydroxymethyl)phenyl]methanesulfinate
SMILESO=S([O-])Cc1cc(CO)ccc1F
InChIInChI=1S/C8H9FO3S/c9-8-2-1-6(4-10)3-7(8)5-13(11)12/h1-3,10H,4-5H2,(H,11,12)/p-1
InChIKeyFIJJHFHAEOEWIC-UHFFFAOYSA-M
XLogP0.70
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-(2-bromoethyl)-2-fluorophenyl]methanesulfinate
CID 174613261
1-bromo-3-[2-fluoro-5-(hydroxymethyl)phenyl]propan-2-one
CID 134616347
(3,4-difluorophenyl)methanol
CID 522833
[4-fluoro-3-(isocyanomethyl)phenyl]methanol
CID 140807490
(3-chloro-4-fluorophenyl)methanesulfinate
CID 175536227
(3,4,5-trifluorophenyl)methanesulfinate
CID 69481341
[4-fluoro-3-(4-fluorophenyl)phenyl]methanol
CID 46312404
[2-fluoro-5-(2,2,2-trifluoroethyl)phenyl]methanol
CID 178139316
[5-(aminooxymethyl)-2-fluorophenyl]methanol
CID 117276845
[4-(bromomethyl)-3-fluorophenyl]methanol
CID 72712924
2-[[5-(aminomethyl)-2-fluorophenyl]methylsulfinyl]-N,N-dimethylacetamide
CID 114233485
2-[cyclobutyl-[[2-fluoro-5-(hydroxymethyl)phenyl]methyl]amino]acetic acid
CID 138037839

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(hydroxymethyl)phenyl]methanesulfinate?
The IUPAC name of [2-fluoro-5-(hydroxymethyl)phenyl]methanesulfinate (CID 174834928) is [2-fluoro-5-(hydroxymethyl)phenyl]methanesulfinate.
What is the SMILES notation for [2-fluoro-5-(hydroxymethyl)phenyl]methanesulfinate?
The canonical SMILES for [2-fluoro-5-(hydroxymethyl)phenyl]methanesulfinate is O=S([O-])Cc1cc(CO)ccc1F.
What is the InChIKey of [2-fluoro-5-(hydroxymethyl)phenyl]methanesulfinate?
The InChIKey is FIJJHFHAEOEWIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9FO3S/c9-8-2-1-6(4-10)3-7(8)5-13(11)12/h1-3,10H,4-5H2,(H,11,12)/p-1.
What are the key properties of [2-fluoro-5-(hydroxymethyl)phenyl]methanesulfinate?
[2-fluoro-5-(hydroxymethyl)phenyl]methanesulfinate has a molecular weight of 203.21 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(hydroxymethyl)phenyl]methanesulfinate is sourced from PubChem (CID 174834928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).