2-(2-fluoro-4,6-dimethylphenyl)propanoic acid

C11H13FO2 — CID 84773931

IUPAC2-(2-fluoro-4,6-dimethylphenyl)propanoic acid
SMILESCc1cc(C)c(C(C)C(=O)O)c(F)c1
InChIInChI=1S/C11H13FO2/c1-6-4-7(2)10(9(12)5-6)8(3)11(13)14/h4-5,8H,1-3H3,(H,13,14)
InChIKeyKLBRWHMREHXMSY-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.63
Rot. Bonds2

About 2-(2-fluoro-4,6-dimethylphenyl)propanoic acid

2-(2-fluoro-4,6-dimethylphenyl)propanoic acid (PubChem CID 84773931) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-(2-fluoro-4,6-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-fluoro-4,6-dimethylphenyl)propanoic acid
PubChem CID84773931
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name2-(2-fluoro-4,6-dimethylphenyl)propanoic acid
SMILESCc1cc(C)c(C(C)C(=O)O)c(F)c1
InChIInChI=1S/C11H13FO2/c1-6-4-7(2)10(9(12)5-6)8(3)11(13)14/h4-5,8H,1-3H3,(H,13,14)
InChIKeyKLBRWHMREHXMSY-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 54026726
3-(2-fluoro-4,6-dimethylphenyl)butanoic acid
CID 84781229
3-(2-fluoro-4,6-dimethylphenyl)pentane-2,4-dione
CID 58964845
2-(2,3,5,6-tetrafluorophenyl)propanoic acid
CID 117317414
1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol
CID 106881058
3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid
CID 116938024
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883395
1,2-bis(2,4,6-trimethylphenyl)propan-1-one
CID 14636852
2-(3-fluoro-4,5-dimethylphenyl)propanoic acid
CID 84773925
2-(2-fluoro-4-hydroxy-6-methoxyphenyl)propanoic acid
CID 84783347
2-(2-chloro-6-ethyl-4-methylphenyl)propanoic acid
CID 69441994
2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid
CID 15709414

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4,6-dimethylphenyl)propanoic acid?
The IUPAC name of 2-(2-fluoro-4,6-dimethylphenyl)propanoic acid (CID 84773931) is 2-(2-fluoro-4,6-dimethylphenyl)propanoic acid.
What is the SMILES notation for 2-(2-fluoro-4,6-dimethylphenyl)propanoic acid?
The canonical SMILES for 2-(2-fluoro-4,6-dimethylphenyl)propanoic acid is Cc1cc(C)c(C(C)C(=O)O)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4,6-dimethylphenyl)propanoic acid?
The InChIKey is KLBRWHMREHXMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-6-4-7(2)10(9(12)5-6)8(3)11(13)14/h4-5,8H,1-3H3,(H,13,14).
What are the key properties of 2-(2-fluoro-4,6-dimethylphenyl)propanoic acid?
2-(2-fluoro-4,6-dimethylphenyl)propanoic acid has a molecular weight of 196.22 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4,6-dimethylphenyl)propanoic acid is sourced from PubChem (CID 84773931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).