2-(2,6-difluoro-3-methylsulfanylphenyl)propanoic acid

C10H10F2O2S — CID 117336107

IUPAC2-(2,6-difluoro-3-methylsulfanylphenyl)propanoic acid
SMILESCSc1ccc(F)c(C(C)C(=O)O)c1F
InChIInChI=1S/C10H10F2O2S/c1-5(10(13)14)8-6(11)3-4-7(15-2)9(8)12/h3-5H,1-2H3,(H,13,14)
InChIKeyMIZSKVOSYQGPEU-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.87
Rot. Bonds3

About 2-(2,6-difluoro-3-methylsulfanylphenyl)propanoic acid

2-(2,6-difluoro-3-methylsulfanylphenyl)propanoic acid (PubChem CID 117336107) has the molecular formula C10H10F2O2S and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-methylsulfanylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methylsulfanylphenyl)propanoic acid
PubChem CID117336107
Molecular FormulaC10H10F2O2S
Molecular Weight232.25 g/mol
Exact Mass232.04
IUPAC Name2-(2,6-difluoro-3-methylsulfanylphenyl)propanoic acid
SMILESCSc1ccc(F)c(C(C)C(=O)O)c1F
InChIInChI=1S/C10H10F2O2S/c1-5(10(13)14)8-6(11)3-4-7(15-2)9(8)12/h3-5H,1-2H3,(H,13,14)
InChIKeyMIZSKVOSYQGPEU-UHFFFAOYSA-N
XLogP2.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid
CID 117337661
2-(2,6-difluoro-3-propan-2-ylphenyl)propanoic acid
CID 117328561
2-(6-fluoro-2,3-dihydroxyphenyl)propanoic acid
CID 117289034
2-(2,6-difluoro-3-nitrophenyl)propanoic acid
CID 57371352
2-(6-chloro-2,3-difluorophenyl)propanoic acid
CID 130512139
2-(2,3,5,6-tetrafluorophenyl)propanoic acid
CID 117317414
3-fluoro-6-methylsulfanylphthalic acid
CID 91881828
2-(6-fluoro-2,3-dimethoxyphenyl)propanoic acid
CID 117328473
2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid
CID 117310716
2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid
CID 83904485
2-(5-fluoro-1-benzofuran-4-yl)propanoic acid
CID 117297072
2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid
CID 117328468

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-methylsulfanylphenyl)propanoic acid?
The IUPAC name of 2-(2,6-difluoro-3-methylsulfanylphenyl)propanoic acid (CID 117336107) is 2-(2,6-difluoro-3-methylsulfanylphenyl)propanoic acid.
What is the SMILES notation for 2-(2,6-difluoro-3-methylsulfanylphenyl)propanoic acid?
The canonical SMILES for 2-(2,6-difluoro-3-methylsulfanylphenyl)propanoic acid is CSc1ccc(F)c(C(C)C(=O)O)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-methylsulfanylphenyl)propanoic acid?
The InChIKey is MIZSKVOSYQGPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2S/c1-5(10(13)14)8-6(11)3-4-7(15-2)9(8)12/h3-5H,1-2H3,(H,13,14).
What are the key properties of 2-(2,6-difluoro-3-methylsulfanylphenyl)propanoic acid?
2-(2,6-difluoro-3-methylsulfanylphenyl)propanoic acid has a molecular weight of 232.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-methylsulfanylphenyl)propanoic acid is sourced from PubChem (CID 117336107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).