2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid

C13H15FO2 — CID 106882833

IUPAC2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid
SMILESCc1cc(C)c(C2CCC2C(=O)O)c(F)c1
InChIInChI=1S/C13H15FO2/c1-7-5-8(2)12(11(14)6-7)9-3-4-10(9)13(15)16/h5-6,9-10H,3-4H2,1-2H3,(H,15,16)
InChIKeySFZYPPLCVXJJRU-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.02
Rot. Bonds2

About 2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid

2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid (PubChem CID 106882833) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid
PubChem CID106882833
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid
SMILESCc1cc(C)c(C2CCC2C(=O)O)c(F)c1
InChIInChI=1S/C13H15FO2/c1-7-5-8(2)12(11(14)6-7)9-3-4-10(9)13(15)16/h5-6,9-10H,3-4H2,1-2H3,(H,15,16)
InChIKeySFZYPPLCVXJJRU-UHFFFAOYSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluoro-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 81009348
5-(2-fluoro-4,6-dimethylphenyl)pyrrolidine-2-carboxylic acid
CID 106882408
2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexan-1-amine
CID 106882846
2-cyclopropyl-1-fluoro-3,5-dimethylbenzene
CID 165138654
2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 81008472
[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine
CID 106882856
2-(2,6-difluoro-3-methylphenyl)cycloheptane-1-carboxylic acid
CID 82828421
2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020656
6-(2-fluoro-4,6-dimethylphenyl)bicyclo[3.1.0]hexane
CID 142950141
2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid
CID 81020459
N-[[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 106882904
2-(2,6-difluoro-3-methylphenyl)-4-ethylcyclohexane-1-carboxylic acid
CID 82828589

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid (CID 106882833) is 2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid is Cc1cc(C)c(C2CCC2C(=O)O)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is SFZYPPLCVXJJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c1-7-5-8(2)12(11(14)6-7)9-3-4-10(9)13(15)16/h5-6,9-10H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid?
2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 222.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 106882833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).