2-(2,5-dimethylphenyl)-2-fluoropropanoic acid

C11H13FO2 — CID 105425199

IUPAC2-(2,5-dimethylphenyl)-2-fluoropropanoic acid
SMILESCc1ccc(C)c(C(C)(F)C(=O)O)c1
InChIInChI=1S/C11H13FO2/c1-7-4-5-8(2)9(6-7)11(3,12)10(13)14/h4-6H,1-3H3,(H,13,14)
InChIKeyTYRIJVDFNBHZGN-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.57
Rot. Bonds2

About 2-(2,5-dimethylphenyl)-2-fluoropropanoic acid

2-(2,5-dimethylphenyl)-2-fluoropropanoic acid (PubChem CID 105425199) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-2-fluoropropanoic acid.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-2-fluoropropanoic acid
PubChem CID105425199
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name2-(2,5-dimethylphenyl)-2-fluoropropanoic acid
SMILESCc1ccc(C)c(C(C)(F)C(=O)O)c1
InChIInChI=1S/C11H13FO2/c1-7-4-5-8(2)9(6-7)11(3,12)10(13)14/h4-6H,1-3H3,(H,13,14)
InChIKeyTYRIJVDFNBHZGN-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-2-(2,5-dimethylphenyl)propanoic acid
CID 24695518
2-fluoro-2-(4-hydroxy-2-methylphenyl)propanoic acid
CID 105426286
(2S)-2-amino-2-(2-fluoro-5-methylphenyl)propanoic acid
CID 130985670
2-(2-fluoro-5-methylphenyl)-2-methylpropanoic acid
CID 62394143
2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride
CID 82128471
ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate
CID 62550626
methyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate
CID 105464025
5-(2,5-dimethylphenyl)-5,5-difluoro-3-methylpentanoic acid
CID 62942566
3-(2,5-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid
CID 62399045
2-(2,5-dimethylphenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid
CID 114999802
2-[1-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65060736
2-(2,5-dimethylphenyl)-2-methylpropanal
CID 82074913

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-2-fluoropropanoic acid?
The IUPAC name of 2-(2,5-dimethylphenyl)-2-fluoropropanoic acid (CID 105425199) is 2-(2,5-dimethylphenyl)-2-fluoropropanoic acid.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-2-fluoropropanoic acid?
The canonical SMILES for 2-(2,5-dimethylphenyl)-2-fluoropropanoic acid is Cc1ccc(C)c(C(C)(F)C(=O)O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-2-fluoropropanoic acid?
The InChIKey is TYRIJVDFNBHZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-7-4-5-8(2)9(6-7)11(3,12)10(13)14/h4-6H,1-3H3,(H,13,14).
What are the key properties of 2-(2,5-dimethylphenyl)-2-fluoropropanoic acid?
2-(2,5-dimethylphenyl)-2-fluoropropanoic acid has a molecular weight of 196.22 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-2-fluoropropanoic acid is sourced from PubChem (CID 105425199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).