3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoic acid

C12H15FO2 — CID 83402760

IUPAC3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoic acid
SMILESCc1ccc(F)c(CC(C)(C)C(=O)O)c1
InChIInChI=1S/C12H15FO2/c1-8-4-5-10(13)9(6-8)7-12(2,3)11(14)15/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeySECDYLPOYDVIKD-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.79
Rot. Bonds3

About 3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoic acid

3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoic acid (PubChem CID 83402760) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoic acid
PubChem CID83402760
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoic acid
SMILESCc1ccc(F)c(CC(C)(C)C(=O)O)c1
InChIInChI=1S/C12H15FO2/c1-8-4-5-10(13)9(6-8)7-12(2,3)11(14)15/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeySECDYLPOYDVIKD-UHFFFAOYSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid
CID 83402778
3-(2,3-difluoro-5-methylphenyl)-2,2-dimethylpropanoic acid
CID 117328547
1-(2-fluoro-5-methylphenyl)-2-methylpropan-2-ol
CID 142848449
3-(3-fluoro-2-hydroxy-5-methylphenyl)-2,2-dimethylpropanoic acid
CID 117325436
3-[4-fluoro-3-(hydroxymethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117325421
2,2-dimethyl-3-(4-methyl-2-methylsulfonylphenyl)propanoic acid
CID 117429237
3-(2-fluoro-5-methylphenyl)propanoic acid
CID 46737563
3-[2,5-difluoro-4-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117398967
3-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117414551
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2,2-dimethylpropanoic acid
CID 117369120
2-(2-fluoro-5-methylphenyl)-2-methylpropanoic acid
CID 62394143
4-(2-fluoro-5-methylphenyl)butanoic acid
CID 83698985

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoic acid (CID 83402760) is 3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoic acid is Cc1ccc(F)c(CC(C)(C)C(=O)O)c1.
What is the InChIKey of 3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoic acid?
The InChIKey is SECDYLPOYDVIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-8-4-5-10(13)9(6-8)7-12(2,3)11(14)15/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of 3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoic acid?
3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoic acid has a molecular weight of 210.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 83402760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).