2-(2-fluoro-4-methyl-5-methylsulfanylphenyl)acetic acid

C10H11FO2S — CID 117305515

IUPAC2-(2-fluoro-4-methyl-5-methylsulfanylphenyl)acetic acid
SMILESCSc1cc(CC(=O)O)c(F)cc1C
InChIInChI=1S/C10H11FO2S/c1-6-3-8(11)7(5-10(12)13)4-9(6)14-2/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyYNTVUFNSWMDPAI-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.48
Rot. Bonds3

About 2-(2-fluoro-4-methyl-5-methylsulfanylphenyl)acetic acid

2-(2-fluoro-4-methyl-5-methylsulfanylphenyl)acetic acid (PubChem CID 117305515) has the molecular formula C10H11FO2S and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(2-fluoro-4-methyl-5-methylsulfanylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-fluoro-4-methyl-5-methylsulfanylphenyl)acetic acid
PubChem CID117305515
Molecular FormulaC10H11FO2S
Molecular Weight214.26 g/mol
Exact Mass214.05
IUPAC Name2-(2-fluoro-4-methyl-5-methylsulfanylphenyl)acetic acid
SMILESCSc1cc(CC(=O)O)c(F)cc1C
InChIInChI=1S/C10H11FO2S/c1-6-3-8(11)7(5-10(12)13)4-9(6)14-2/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyYNTVUFNSWMDPAI-UHFFFAOYSA-N
XLogP2.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluoro-4-methyl-5-methylsulfanylphenyl)butanoic acid
CID 117357987
2-(4-amino-2-fluoro-5-methylphenyl)acetic acid
CID 91755180
2-(5-ethyl-2,4-difluorophenyl)acetic acid
CID 117289054
2-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]acetic acid
CID 66523493
2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid
CID 117310716
2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
CID 658274
2-(4-amino-5-fluoro-2-methylphenyl)acetic acid
CID 91755197
2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid
CID 119005832
5,5-difluoro-1-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfanyl)phenyl]pentan-2-one
CID 161063268
3-(2-fluoro-4-methyl-5-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117421259
2-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]acetic acid
CID 91880981
2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid
CID 10444484

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methyl-5-methylsulfanylphenyl)acetic acid?
The IUPAC name of 2-(2-fluoro-4-methyl-5-methylsulfanylphenyl)acetic acid (CID 117305515) is 2-(2-fluoro-4-methyl-5-methylsulfanylphenyl)acetic acid.
What is the SMILES notation for 2-(2-fluoro-4-methyl-5-methylsulfanylphenyl)acetic acid?
The canonical SMILES for 2-(2-fluoro-4-methyl-5-methylsulfanylphenyl)acetic acid is CSc1cc(CC(=O)O)c(F)cc1C.
What is the InChIKey of 2-(2-fluoro-4-methyl-5-methylsulfanylphenyl)acetic acid?
The InChIKey is YNTVUFNSWMDPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2S/c1-6-3-8(11)7(5-10(12)13)4-9(6)14-2/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-fluoro-4-methyl-5-methylsulfanylphenyl)acetic acid?
2-(2-fluoro-4-methyl-5-methylsulfanylphenyl)acetic acid has a molecular weight of 214.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methyl-5-methylsulfanylphenyl)acetic acid is sourced from PubChem (CID 117305515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).