2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid

C10H11FO2S — CID 117244463

IUPAC2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid
SMILESCSCC(C(=O)O)c1ccccc1F
InChIInChI=1S/C10H11FO2S/c1-14-6-8(10(12)13)7-4-2-3-5-9(7)11/h2-5,8H,6H2,1H3,(H,12,13)
InChIKeyGJSDZOIWQWEWGS-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.36
Rot. Bonds4

About 2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid

2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid (PubChem CID 117244463) has the molecular formula C10H11FO2S and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid
PubChem CID117244463
Molecular FormulaC10H11FO2S
Molecular Weight214.26 g/mol
Exact Mass214.05
IUPAC Name2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid
SMILESCSCC(C(=O)O)c1ccccc1F
InChIInChI=1S/C10H11FO2S/c1-14-6-8(10(12)13)7-4-2-3-5-9(7)11/h2-5,8H,6H2,1H3,(H,12,13)
InChIKeyGJSDZOIWQWEWGS-UHFFFAOYSA-N
XLogP2.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)butanedioic acid
CID 50990542
2-(2-fluorophenyl)-5-methylhexanoic acid
CID 79439797
4-amino-2-(2-fluorophenyl)butanoic acid
CID 82158228
2-(2-fluorophenyl)heptanoic acid
CID 79439623
(2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid
CID 157200249
(2S)-2-amino-4-(2-fluorophenyl)pentanedioic acid
CID 172697972
2-(2-fluorophenyl)-4-methylsulfonylbutanoic acid
CID 79438904
(E)-5-chloro-2-(2-fluorophenyl)pent-4-enoic acid
CID 107900909
2-(2-fluorophenyl)-5-methylsulfonylpentanoic acid
CID 79438900
5-ethoxy-2-(2-fluorophenyl)pentanoic acid
CID 79439803
2-(2-fluorophenyl)-3-(4-iodophenyl)propanoic acid
CID 79439245
2-(2-fluorophenyl)-3-methylbutanoic acid
CID 62492426

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid?
The IUPAC name of 2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid (CID 117244463) is 2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid?
The canonical SMILES for 2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid is CSCC(C(=O)O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid?
The InChIKey is GJSDZOIWQWEWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2S/c1-14-6-8(10(12)13)7-4-2-3-5-9(7)11/h2-5,8H,6H2,1H3,(H,12,13).
What are the key properties of 2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid?
2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid has a molecular weight of 214.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid is sourced from PubChem (CID 117244463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).