2-(4-fluoro-3,5-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid

C16H19FO3 — CID 114392026

IUPAC2-(4-fluoro-3,5-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid
SMILESCc1cc(C(=O)C2CC(C)CC2C(=O)O)cc(C)c1F
InChIInChI=1S/C16H19FO3/c1-8-4-12(13(5-8)16(19)20)15(18)11-6-9(2)14(17)10(3)7-11/h6-8,12-13H,4-5H2,1-3H3,(H,19,20)
InChIKeyFNVMUBDBAHOFAJ-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.37
Rot. Bonds3

About 2-(4-fluoro-3,5-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid

2-(4-fluoro-3,5-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114392026) has the molecular formula C16H19FO3 and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-(4-fluoro-3,5-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluoro-3,5-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid
PubChem CID114392026
Molecular FormulaC16H19FO3
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name2-(4-fluoro-3,5-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid
SMILESCc1cc(C(=O)C2CC(C)CC2C(=O)O)cc(C)c1F
InChIInChI=1S/C16H19FO3/c1-8-4-12(13(5-8)16(19)20)15(18)11-6-9(2)14(17)10(3)7-11/h6-8,12-13H,4-5H2,1-3H3,(H,19,20)
InChIKeyFNVMUBDBAHOFAJ-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3,5-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(4-fluoro-3,5-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid (CID 114392026) is 2-(4-fluoro-3,5-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(4-fluoro-3,5-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(4-fluoro-3,5-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid is Cc1cc(C(=O)C2CC(C)CC2C(=O)O)cc(C)c1F.
What is the InChIKey of 2-(4-fluoro-3,5-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is FNVMUBDBAHOFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO3/c1-8-4-12(13(5-8)16(19)20)15(18)11-6-9(2)14(17)10(3)7-11/h6-8,12-13H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-fluoro-3,5-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid?
2-(4-fluoro-3,5-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-3,5-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114392026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).