2-fluoro-2-methylsulfanylacetic acid

C3H5FO2S — CID 79356966

IUPAC2-fluoro-2-methylsulfanylacetic acid
SMILESCSC(F)C(=O)O
InChIInChI=1S/C3H5FO2S/c1-7-2(4)3(5)6/h2H,1H3,(H,5,6)
InChIKeyAZIYZOIKQVDWJH-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.73
Rot. Bonds2

About 2-fluoro-2-methylsulfanylacetic acid

2-fluoro-2-methylsulfanylacetic acid (PubChem CID 79356966) has the molecular formula C3H5FO2S and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-fluoro-2-methylsulfanylacetic acid.

Molecular Properties

Compound Name2-fluoro-2-methylsulfanylacetic acid
PubChem CID79356966
Molecular FormulaC3H5FO2S
Molecular Weight124.14 g/mol
Exact Mass124.00
IUPAC Name2-fluoro-2-methylsulfanylacetic acid
SMILESCSC(F)C(=O)O
InChIInChI=1S/C3H5FO2S/c1-7-2(4)3(5)6/h2H,1H3,(H,5,6)
InChIKeyAZIYZOIKQVDWJH-UHFFFAOYSA-N
XLogP0.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methylsulfanylacetic acid?
The IUPAC name of 2-fluoro-2-methylsulfanylacetic acid (CID 79356966) is 2-fluoro-2-methylsulfanylacetic acid.
What is the SMILES notation for 2-fluoro-2-methylsulfanylacetic acid?
The canonical SMILES for 2-fluoro-2-methylsulfanylacetic acid is CSC(F)C(=O)O.
What is the InChIKey of 2-fluoro-2-methylsulfanylacetic acid?
The InChIKey is AZIYZOIKQVDWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO2S/c1-7-2(4)3(5)6/h2H,1H3,(H,5,6).
What are the key properties of 2-fluoro-2-methylsulfanylacetic acid?
2-fluoro-2-methylsulfanylacetic acid has a molecular weight of 124.14 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methylsulfanylacetic acid is sourced from PubChem (CID 79356966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).