2-(4-fluoro-2,6-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid

C16H19FO3 — CID 106877091

IUPAC2-(4-fluoro-2,6-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid
SMILESCc1cc(F)cc(C)c1C(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C16H19FO3/c1-8-4-12(13(5-8)16(19)20)15(18)14-9(2)6-11(17)7-10(14)3/h6-8,12-13H,4-5H2,1-3H3,(H,19,20)
InChIKeyLIJFONGPPLKQCF-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.37
Rot. Bonds3

About 2-(4-fluoro-2,6-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid

2-(4-fluoro-2,6-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid (PubChem CID 106877091) has the molecular formula C16H19FO3 and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-(4-fluoro-2,6-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluoro-2,6-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid
PubChem CID106877091
Molecular FormulaC16H19FO3
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name2-(4-fluoro-2,6-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid
SMILESCc1cc(F)cc(C)c1C(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C16H19FO3/c1-8-4-12(13(5-8)16(19)20)15(18)14-9(2)6-11(17)7-10(14)3/h6-8,12-13H,4-5H2,1-3H3,(H,19,20)
InChIKeyLIJFONGPPLKQCF-UHFFFAOYSA-N
XLogP3.37
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 444705
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4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid
CID 1480753
3-(2,4-Dimethylbenzoyl)Propionic Acid
CID 294533
5-Indanacetic acid, 1-cyclohexyl-3-oxo-
CID 3054954
4-Benzoyl-1-indancarboxylic acid
CID 162149
4-(4-Methylbenzoyl)-1-indancarboxylic acid
CID 162150
4-(2-Methylphenyl)-4-oxobutanoic acid
CID 245269
3-(2-Methyl-7,8-dioxo-6-propan-2-ylnaphthalen-1-yl)propanoic acid
CID 44325469
4-(4-Fluoro-3-methylphenyl)-4-oxobutanoic acid
CID 6485443

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2,6-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(4-fluoro-2,6-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid (CID 106877091) is 2-(4-fluoro-2,6-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(4-fluoro-2,6-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(4-fluoro-2,6-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid is Cc1cc(F)cc(C)c1C(=O)C1CC(C)CC1C(=O)O.
What is the InChIKey of 2-(4-fluoro-2,6-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is LIJFONGPPLKQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO3/c1-8-4-12(13(5-8)16(19)20)15(18)14-9(2)6-11(17)7-10(14)3/h6-8,12-13H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-fluoro-2,6-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid?
2-(4-fluoro-2,6-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 278.32 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2,6-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 106877091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).