2-(2-fluoro-3,5,6-trimethylphenyl)acetic acid

C11H13FO2 — CID 84773961

IUPAC2-(2-fluoro-3,5,6-trimethylphenyl)acetic acid
SMILESCc1cc(C)c(F)c(CC(=O)O)c1C
InChIInChI=1S/C11H13FO2/c1-6-4-7(2)11(12)9(8(6)3)5-10(13)14/h4H,5H2,1-3H3,(H,13,14)
InChIKeyMLMYDMNMRJFGOJ-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.38
Rot. Bonds2

About 2-(2-fluoro-3,5,6-trimethylphenyl)acetic acid

2-(2-fluoro-3,5,6-trimethylphenyl)acetic acid (PubChem CID 84773961) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-(2-fluoro-3,5,6-trimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-fluoro-3,5,6-trimethylphenyl)acetic acid
PubChem CID84773961
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name2-(2-fluoro-3,5,6-trimethylphenyl)acetic acid
SMILESCc1cc(C)c(F)c(CC(=O)O)c1C
InChIInChI=1S/C11H13FO2/c1-6-4-7(2)11(12)9(8(6)3)5-10(13)14/h4H,5H2,1-3H3,(H,13,14)
InChIKeyMLMYDMNMRJFGOJ-UHFFFAOYSA-N
XLogP2.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluoro-2,4,6-trimethylphenyl)acetic acid
CID 84773962
2-(2-iodyl-3,5,6-trimethylphenyl)acetic acid
CID 23357374
2-(2,5-difluoro-3-methylphenyl)acetic acid
CID 118999566
2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid
CID 2773689
2-(2-fluoro-3,5,6-trimethylphenyl)ethanamine
CID 84768579
2-(6-cyano-2-fluoro-3-methylphenyl)acetic acid
CID 131168116
2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid
CID 117287612
2-[4-(chloromethyl)-2,6-dimethylphenyl]acetic acid
CID 171022213
2-(6-bromo-2,3-dimethylphenyl)acetic acid
CID 84703622
2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
CID 658274
2-(5-hydroxy-2,3-dimethylphenyl)acetic acid
CID 118996271
2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid
CID 82494307

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3,5,6-trimethylphenyl)acetic acid?
The IUPAC name of 2-(2-fluoro-3,5,6-trimethylphenyl)acetic acid (CID 84773961) is 2-(2-fluoro-3,5,6-trimethylphenyl)acetic acid.
What is the SMILES notation for 2-(2-fluoro-3,5,6-trimethylphenyl)acetic acid?
The canonical SMILES for 2-(2-fluoro-3,5,6-trimethylphenyl)acetic acid is Cc1cc(C)c(F)c(CC(=O)O)c1C.
What is the InChIKey of 2-(2-fluoro-3,5,6-trimethylphenyl)acetic acid?
The InChIKey is MLMYDMNMRJFGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-6-4-7(2)11(12)9(8(6)3)5-10(13)14/h4H,5H2,1-3H3,(H,13,14).
What are the key properties of 2-(2-fluoro-3,5,6-trimethylphenyl)acetic acid?
2-(2-fluoro-3,5,6-trimethylphenyl)acetic acid has a molecular weight of 196.22 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3,5,6-trimethylphenyl)acetic acid is sourced from PubChem (CID 84773961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).