1-(4-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-one

C15H18ClFO2 — CID 107890536

IUPAC1-(4-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-one
SMILESCCOC1CC(CC(=O)Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C15H18ClFO2/c1-2-19-13-7-11(8-13)6-12(18)5-10-3-4-14(16)15(17)9-10/h3-4,9,11,13H,2,5-8H2,1H3
InChIKeyZHGPEULPOZBAEK-UHFFFAOYSA-N
MW284.76 g/mol
LogP3.80
Rot. Bonds6

About 1-(4-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-one

1-(4-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-one (PubChem CID 107890536) has the molecular formula C15H18ClFO2 and a molecular weight of 284.76 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-one
PubChem CID107890536
Molecular FormulaC15H18ClFO2
Molecular Weight284.76 g/mol
Exact Mass284.10
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-one
SMILESCCOC1CC(CC(=O)Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C15H18ClFO2/c1-2-19-13-7-11(8-13)6-12(18)5-10-3-4-14(16)15(17)9-10/h3-4,9,11,13H,2,5-8H2,1H3
InChIKeyZHGPEULPOZBAEK-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(3,4-dimethoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-one
CID 103164062
1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-one
CID 103167727
1-(3-ethoxycyclobutyl)-3-pyridin-4-ylpropan-2-one
CID 103164289
2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone
CID 107883911
2-(4-chloro-3-fluorophenyl)-1-(4-propylcyclohexyl)ethanone
CID 107883999
1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-one
CID 107883978
1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone
CID 103167728
1-(4-chloro-3-fluorophenyl)-4-methylpent-3-en-2-one
CID 107884163
1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
CID 107890837
1-(butan-2-ylamino)-3-(4-chloro-3-fluorophenyl)propan-2-one
CID 107889925
2-(3-ethoxycyclobutyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 103167821
1-(4-chloro-3-fluorophenyl)-3-hydroxypentan-2-one
CID 107884157

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-one?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-one (CID 107890536) is 1-(4-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-one.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-one?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-one is CCOC1CC(CC(=O)Cc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-one?
The InChIKey is ZHGPEULPOZBAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFO2/c1-2-19-13-7-11(8-13)6-12(18)5-10-3-4-14(16)15(17)9-10/h3-4,9,11,13H,2,5-8H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-one?
1-(4-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-one has a molecular weight of 284.76 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-one is sourced from PubChem (CID 107890536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).