(2S)-1-fluoro-3-hydroxypropane-2-sulfinate

C3H6FO3S- — CID 166959124

IUPAC(2S)-1-fluoro-3-hydroxypropane-2-sulfinate
SMILESO=S([O-])[C@@H](CO)CF
InChIInChI=1S/C3H7FO3S/c4-1-3(2-5)8(6)7/h3,5H,1-2H2,(H,6,7)/p-1/t3-/m1/s1
InChIKeyYHXDYVTXJLNHOK-GSVOUGTGSA-M
MW141.14 g/mol
LogP-0.80
Rot. Bonds3

About (2S)-1-fluoro-3-hydroxypropane-2-sulfinate

(2S)-1-fluoro-3-hydroxypropane-2-sulfinate (PubChem CID 166959124) has the molecular formula C3H6FO3S- and a molecular weight of 141.14 g/mol. Its IUPAC name is (2S)-1-fluoro-3-hydroxypropane-2-sulfinate.

Molecular Properties

Compound Name(2S)-1-fluoro-3-hydroxypropane-2-sulfinate
PubChem CID166959124
Molecular FormulaC3H6FO3S-
Molecular Weight141.14 g/mol
Exact Mass141.00
IUPAC Name(2S)-1-fluoro-3-hydroxypropane-2-sulfinate
SMILESO=S([O-])[C@@H](CO)CF
InChIInChI=1S/C3H7FO3S/c4-1-3(2-5)8(6)7/h3,5H,1-2H2,(H,6,7)/p-1/t3-/m1/s1
InChIKeyYHXDYVTXJLNHOK-GSVOUGTGSA-M
XLogP-0.80
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 5-0.80
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

hydroxymethanesulfinate
CID 3566445
fluoromethanesulfinate;dihydrochloride
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fluoromethanesulfinate;hydron
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zinc;bis(difluoromethanesulfinate);hydrate
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sodium;ethane-1,2-diol;hydrogen sulfite
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1,1,3,3-tetrafluoropropane-2-sulfinate
CID 91562788
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CID 91536211
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CID 174802259
1,2-dihydroxy-3-[methyl(sulfinato)amino]propane
CID 91491359
1,6-dihydroxy-1,6-dioxohexane-2,5-disulfinate
CID 57300873
4-amino-1-cyclopropyl-4-oxobutane-2-sulfinate
CID 139432294

Frequently Asked Questions

What is the IUPAC name of (2S)-1-fluoro-3-hydroxypropane-2-sulfinate?
The IUPAC name of (2S)-1-fluoro-3-hydroxypropane-2-sulfinate (CID 166959124) is (2S)-1-fluoro-3-hydroxypropane-2-sulfinate.
What is the SMILES notation for (2S)-1-fluoro-3-hydroxypropane-2-sulfinate?
The canonical SMILES for (2S)-1-fluoro-3-hydroxypropane-2-sulfinate is O=S([O-])[C@@H](CO)CF.
What is the InChIKey of (2S)-1-fluoro-3-hydroxypropane-2-sulfinate?
The InChIKey is YHXDYVTXJLNHOK-GSVOUGTGSA-M. The full InChI is InChI=1S/C3H7FO3S/c4-1-3(2-5)8(6)7/h3,5H,1-2H2,(H,6,7)/p-1/t3-/m1/s1.
What are the key properties of (2S)-1-fluoro-3-hydroxypropane-2-sulfinate?
(2S)-1-fluoro-3-hydroxypropane-2-sulfinate has a molecular weight of 141.14 g/mol, XLogP of -0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-fluoro-3-hydroxypropane-2-sulfinate is sourced from PubChem (CID 166959124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).