2-(4-fluorophenyl)cyclobutan-1-one

C10H9FO — CID 122242708

IUPAC2-(4-fluorophenyl)cyclobutan-1-one
SMILESO=C1CCC1c1ccc(F)cc1
InChIInChI=1S/C10H9FO/c11-8-3-1-7(2-4-8)9-5-6-10(9)12/h1-4,9H,5-6H2
InChIKeyBCKGUSIIZVZZPN-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.27
Rot. Bonds1

About 2-(4-fluorophenyl)cyclobutan-1-one

2-(4-fluorophenyl)cyclobutan-1-one (PubChem CID 122242708) has the molecular formula C10H9FO and a molecular weight of 164.18 g/mol. Its IUPAC name is 2-(4-fluorophenyl)cyclobutan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)cyclobutan-1-one
PubChem CID122242708
Molecular FormulaC10H9FO
Molecular Weight164.18 g/mol
Exact Mass164.06
IUPAC Name2-(4-fluorophenyl)cyclobutan-1-one
SMILESO=C1CCC1c1ccc(F)cc1
InChIInChI=1S/C10H9FO/c11-8-3-1-7(2-4-8)9-5-6-10(9)12/h1-4,9H,5-6H2
InChIKeyBCKGUSIIZVZZPN-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

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Related Compounds

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CID 17355
Phenylacetone
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4-Methyl-1-phenyl-2-pentanone
CID 219672
Isobutyrophenone
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4'-Fluoroacetophenone
CID 9828
2-Phenyl-4-pentenal
CID 562563
4-(p-Tolyl)-2-butanone
CID 5463908
(+)-Turmerone
CID 160512
2-Cyclohexen-1-one, 3-phenyl-
CID 82567
2-Methyl-6-(4-methylphenyl)hept-2-en-4-one
CID 558221
3-Benzyl-4-heptanone
CID 5463905

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)cyclobutan-1-one?
The IUPAC name of 2-(4-fluorophenyl)cyclobutan-1-one (CID 122242708) is 2-(4-fluorophenyl)cyclobutan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)cyclobutan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)cyclobutan-1-one is O=C1CCC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)cyclobutan-1-one?
The InChIKey is BCKGUSIIZVZZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO/c11-8-3-1-7(2-4-8)9-5-6-10(9)12/h1-4,9H,5-6H2.
What are the key properties of 2-(4-fluorophenyl)cyclobutan-1-one?
2-(4-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 2-(4-fluorophenyl)cyclobutan-1-one is sourced from PubChem (CID 122242708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).