2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid

C12H13FO2 — CID 81008472

IUPAC2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid
SMILESCc1ccc(F)cc1C1CCC1C(=O)O
InChIInChI=1S/C12H13FO2/c1-7-2-3-8(13)6-11(7)9-4-5-10(9)12(14)15/h2-3,6,9-10H,4-5H2,1H3,(H,14,15)
InChIKeyJOLQORYYNCSELR-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.71
Rot. Bonds2

About 2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid

2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid (PubChem CID 81008472) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid
PubChem CID81008472
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid
SMILESCc1ccc(F)cc1C1CCC1C(=O)O
InChIInChI=1S/C12H13FO2/c1-7-2-3-8(13)6-11(7)9-4-5-10(9)12(14)15/h2-3,6,9-10H,4-5H2,1H3,(H,14,15)
InChIKeyJOLQORYYNCSELR-UHFFFAOYSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid (CID 81008472) is 2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid is Cc1ccc(F)cc1C1CCC1C(=O)O.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is JOLQORYYNCSELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-7-2-3-8(13)6-11(7)9-4-5-10(9)12(14)15/h2-3,6,9-10H,4-5H2,1H3,(H,14,15).
What are the key properties of 2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid?
2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 208.23 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81008472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).