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

C9H8F2O2S — CID 117310716

IUPAC2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid
SMILESCSc1ccc(F)c(CC(=O)O)c1F
InChIInChI=1S/C9H8F2O2S/c1-14-7-3-2-6(10)5(9(7)11)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKeyMEIYKIYHDUWJHZ-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.31
Rot. Bonds3

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

2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid (PubChem CID 117310716) has the molecular formula C9H8F2O2S and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid
PubChem CID117310716
Molecular FormulaC9H8F2O2S
Molecular Weight218.22 g/mol
Exact Mass218.02
IUPAC Name2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid
SMILESCSc1ccc(F)c(CC(=O)O)c1F
InChIInChI=1S/C9H8F2O2S/c1-14-7-3-2-6(10)5(9(7)11)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKeyMEIYKIYHDUWJHZ-UHFFFAOYSA-N
XLogP2.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-amino-2,6-difluorophenyl)acetic acid
CID 18405488
2-[1-(2,6-difluoro-3-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117399171
2-(2,6-difluoro-3-methylsulfanylphenyl)propanoic acid
CID 117336107
1-[(2,6-difluoro-3-methylsulfanylphenyl)methyl]cyclopropan-1-amine
CID 117330846
2-amino-2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid
CID 117337661
3-fluoro-6-methylsulfanylphthalic acid
CID 91881828
2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid
CID 84668066
2-(2-acetyl-6-fluorophenyl)acetic acid
CID 121231894
2-(2-fluoro-4-methyl-5-methylsulfanylphenyl)acetic acid
CID 117305515
2-(3,6-difluoro-2-nitrophenyl)acetic acid
CID 131580413
2-[2-fluoro-6-(propan-2-ylamino)phenyl]acetic acid
CID 82284132
2-[2-(dimethylamino)-6-fluorophenyl]acetic acid
CID 19899901

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid?
The IUPAC name of 2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid (CID 117310716) is 2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid.
What is the SMILES notation for 2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid?
The canonical SMILES for 2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid is CSc1ccc(F)c(CC(=O)O)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid?
The InChIKey is MEIYKIYHDUWJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2S/c1-14-7-3-2-6(10)5(9(7)11)4-8(12)13/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid?
2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid has a molecular weight of 218.22 g/mol, XLogP of 2.31, 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)acetic acid is sourced from PubChem (CID 117310716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).