1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid

C11H9FO3 — CID 64906471

IUPAC1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid
SMILESO=C1CC(C(=O)O)(c2ccccc2F)C1
InChIInChI=1S/C11H9FO3/c12-9-4-2-1-3-8(9)11(10(14)15)5-7(13)6-11/h1-4H,5-6H2,(H,14,15)
InChIKeyNJPHILUDRZPXMO-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.51
Rot. Bonds2

About 1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid

1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid (PubChem CID 64906471) has the molecular formula C11H9FO3 and a molecular weight of 208.19 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid
PubChem CID64906471
Molecular FormulaC11H9FO3
Molecular Weight208.19 g/mol
Exact Mass208.05
IUPAC Name1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid
SMILESO=C1CC(C(=O)O)(c2ccccc2F)C1
InChIInChI=1S/C11H9FO3/c12-9-4-2-1-3-8(9)11(10(14)15)5-7(13)6-11/h1-4H,5-6H2,(H,14,15)
InChIKeyNJPHILUDRZPXMO-UHFFFAOYSA-N
XLogP1.51
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid (CID 64906471) is 1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid is O=C1CC(C(=O)O)(c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid?
The InChIKey is NJPHILUDRZPXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO3/c12-9-4-2-1-3-8(9)11(10(14)15)5-7(13)6-11/h1-4H,5-6H2,(H,14,15).
What are the key properties of 1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid?
1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid has a molecular weight of 208.19 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid is sourced from PubChem (CID 64906471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).