3-(2,4-dimethylphenyl)-2-fluoropropanoic acid

C11H13FO2 — CID 81357864

IUPAC3-(2,4-dimethylphenyl)-2-fluoropropanoic acid
SMILESCc1ccc(CC(F)C(=O)O)c(C)c1
InChIInChI=1S/C11H13FO2/c1-7-3-4-9(8(2)5-7)6-10(12)11(13)14/h3-5,10H,6H2,1-2H3,(H,13,14)
InChIKeySFPYUPFJJDRFML-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.27
Rot. Bonds3

About 3-(2,4-dimethylphenyl)-2-fluoropropanoic acid

3-(2,4-dimethylphenyl)-2-fluoropropanoic acid (PubChem CID 81357864) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-2-fluoropropanoic acid.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-2-fluoropropanoic acid
PubChem CID81357864
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name3-(2,4-dimethylphenyl)-2-fluoropropanoic acid
SMILESCc1ccc(CC(F)C(=O)O)c(C)c1
InChIInChI=1S/C11H13FO2/c1-7-3-4-9(8(2)5-7)6-10(12)11(13)14/h3-5,10H,6H2,1-2H3,(H,13,14)
InChIKeySFPYUPFJJDRFML-UHFFFAOYSA-N
XLogP2.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2,4-dimethylphenyl)-2-fluoropropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-(2,4-dimethylphenyl)-2-methylpropanoic acid
CID 96752041
3-(2,4-dimethylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 167740736
(2S)-3-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 100551898
(2S)-3-(2,4-dimethylphenyl)-2-phenylmethoxypropanoic acid
CID 100527106
(2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100526538
methyl (2S)-2-amino-3-(2,4-dimethylphenyl)propanoate
CID 91978759
(3R)-3-amino-4-(2,4-dimethylphenyl)butanamide
CID 168863362
ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate
CID 4031511
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
3-(4-chloro-2-fluorophenyl)-2-fluoropropanoic acid
CID 131151024
2-(2,4-dimethylphenyl)-N-methyl-N-phenylacetamide
CID 100585469
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-2-fluoropropanoic acid?
The IUPAC name of 3-(2,4-dimethylphenyl)-2-fluoropropanoic acid (CID 81357864) is 3-(2,4-dimethylphenyl)-2-fluoropropanoic acid.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-2-fluoropropanoic acid?
The canonical SMILES for 3-(2,4-dimethylphenyl)-2-fluoropropanoic acid is Cc1ccc(CC(F)C(=O)O)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-2-fluoropropanoic acid?
The InChIKey is SFPYUPFJJDRFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-7-3-4-9(8(2)5-7)6-10(12)11(13)14/h3-5,10H,6H2,1-2H3,(H,13,14).
What are the key properties of 3-(2,4-dimethylphenyl)-2-fluoropropanoic acid?
3-(2,4-dimethylphenyl)-2-fluoropropanoic acid has a molecular weight of 196.22 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-2-fluoropropanoic acid is sourced from PubChem (CID 81357864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).