2-(3-fluoro-4,5-dimethylphenyl)propanoic acid

C11H13FO2 — CID 84773925

IUPAC2-(3-fluoro-4,5-dimethylphenyl)propanoic acid
SMILESCc1cc(C(C)C(=O)O)cc(F)c1C
InChIInChI=1S/C11H13FO2/c1-6-4-9(8(3)11(13)14)5-10(12)7(6)2/h4-5,8H,1-3H3,(H,13,14)
InChIKeySBOILQVODCEEFJ-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.63
Rot. Bonds2

About 2-(3-fluoro-4,5-dimethylphenyl)propanoic acid

2-(3-fluoro-4,5-dimethylphenyl)propanoic acid (PubChem CID 84773925) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-(3-fluoro-4,5-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-fluoro-4,5-dimethylphenyl)propanoic acid
PubChem CID84773925
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name2-(3-fluoro-4,5-dimethylphenyl)propanoic acid
SMILESCc1cc(C(C)C(=O)O)cc(F)c1C
InChIInChI=1S/C11H13FO2/c1-6-4-9(8(3)11(13)14)5-10(12)7(6)2/h4-5,8H,1-3H3,(H,13,14)
InChIKeySBOILQVODCEEFJ-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-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
5-(difluoromethyl)-1-fluoro-2,3-dimethylbenzene
CID 130837151
2-(4-bromo-3-chloro-5-fluorophenyl)propanoic acid
CID 117452032
2-(3-chloro-4-hydroxy-5-methylphenyl)propanoic acid
CID 84783600
2-(3,4-dimethoxy-5-methylphenyl)propanoic acid
CID 117321873
2-(2-fluoro-4,6-dimethylphenyl)propanoic acid
CID 84773931
3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine
CID 84773685
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
(2R)-2-(3-fluoro-4-nitrophenyl)propanoic acid
CID 131301299
2-[5-fluoro-6-(hydroxymethyl)-3-pyridinyl]propanoic acid
CID 121364778
2-(2,3,5,6-tetrafluorophenyl)propanoic acid
CID 117317414

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4,5-dimethylphenyl)propanoic acid?
The IUPAC name of 2-(3-fluoro-4,5-dimethylphenyl)propanoic acid (CID 84773925) is 2-(3-fluoro-4,5-dimethylphenyl)propanoic acid.
What is the SMILES notation for 2-(3-fluoro-4,5-dimethylphenyl)propanoic acid?
The canonical SMILES for 2-(3-fluoro-4,5-dimethylphenyl)propanoic acid is Cc1cc(C(C)C(=O)O)cc(F)c1C.
What is the InChIKey of 2-(3-fluoro-4,5-dimethylphenyl)propanoic acid?
The InChIKey is SBOILQVODCEEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-6-4-9(8(3)11(13)14)5-10(12)7(6)2/h4-5,8H,1-3H3,(H,13,14).
What are the key properties of 2-(3-fluoro-4,5-dimethylphenyl)propanoic acid?
2-(3-fluoro-4,5-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-(3-fluoro-4,5-dimethylphenyl)propanoic acid is sourced from PubChem (CID 84773925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).