3-(2-fluorophenyl)cyclobutan-1-one

C10H9FO — CID 53403957

IUPAC3-(2-fluorophenyl)cyclobutan-1-one
SMILESO=C1CC(c2ccccc2F)C1
InChIInChI=1S/C10H9FO/c11-10-4-2-1-3-9(10)7-5-8(12)6-7/h1-4,7H,5-6H2
InChIKeyZNHOEHONJNYTDA-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.27
Rot. Bonds1

About 3-(2-fluorophenyl)cyclobutan-1-one

3-(2-fluorophenyl)cyclobutan-1-one (PubChem CID 53403957) has the molecular formula C10H9FO and a molecular weight of 164.18 g/mol. Its IUPAC name is 3-(2-fluorophenyl)cyclobutan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)cyclobutan-1-one
PubChem CID53403957
Molecular FormulaC10H9FO
Molecular Weight164.18 g/mol
Exact Mass164.06
IUPAC Name3-(2-fluorophenyl)cyclobutan-1-one
SMILESO=C1CC(c2ccccc2F)C1
InChIInChI=1S/C10H9FO/c11-10-4-2-1-3-9(10)7-5-8(12)6-7/h1-4,7H,5-6H2
InChIKeyZNHOEHONJNYTDA-UHFFFAOYSA-N
XLogP2.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(2-fluorophenyl)cyclobutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)cyclobutan-1-one?
The IUPAC name of 3-(2-fluorophenyl)cyclobutan-1-one (CID 53403957) is 3-(2-fluorophenyl)cyclobutan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)cyclobutan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)cyclobutan-1-one is O=C1CC(c2ccccc2F)C1.
What is the InChIKey of 3-(2-fluorophenyl)cyclobutan-1-one?
The InChIKey is ZNHOEHONJNYTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO/c11-10-4-2-1-3-9(10)7-5-8(12)6-7/h1-4,7H,5-6H2.
What are the key properties of 3-(2-fluorophenyl)cyclobutan-1-one?
3-(2-fluorophenyl)cyclobutan-1-one has a molecular weight of 164.18 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)cyclobutan-1-one is sourced from PubChem (CID 53403957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).