2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone

C18H16ClFO — CID 114602079

IUPAC2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1F)c1ccccc1C1CCC1
InChIInChI=1S/C18H16ClFO/c19-16-10-4-7-13(18(16)20)11-17(21)15-9-2-1-8-14(15)12-5-3-6-12/h1-2,4,7-10,12H,3,5-6,11H2
InChIKeyZKXQOTIJJDWYRG-UHFFFAOYSA-N
MW302.78 g/mol
LogP5.17
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone

2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone (PubChem CID 114602079) has the molecular formula C18H16ClFO and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone
PubChem CID114602079
Molecular FormulaC18H16ClFO
Molecular Weight302.78 g/mol
Exact Mass302.09
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1F)c1ccccc1C1CCC1
InChIInChI=1S/C18H16ClFO/c19-16-10-4-7-13(18(16)20)11-17(21)15-9-2-1-8-14(15)12-5-3-6-12/h1-2,4,7-10,12H,3,5-6,11H2
InChIKeyZKXQOTIJJDWYRG-UHFFFAOYSA-N
XLogP5.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.78
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 82802165
(2-chloro-6-fluorophenyl)-(2-cyclobutylphenyl)methanone
CID 115813620
1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one
CID 114601765
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 82802598
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone
CID 102865627
2-(3-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 82802271
2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanone
CID 114601706
4-chloro-1-(2-cyclobutylphenyl)butan-1-one
CID 114601922
(2-chloro-4-fluorophenyl)-(2-cyclobutylphenyl)methanone
CID 114601820
2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone
CID 107187655
2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone
CID 102865723
2-(3-chloro-2-fluorophenyl)-1-(cyclopenten-1-yl)ethanone
CID 103448194

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone (CID 114602079) is 2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone is O=C(Cc1cccc(Cl)c1F)c1ccccc1C1CCC1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone?
The InChIKey is ZKXQOTIJJDWYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFO/c19-16-10-4-7-13(18(16)20)11-17(21)15-9-2-1-8-14(15)12-5-3-6-12/h1-2,4,7-10,12H,3,5-6,11H2.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone?
2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone has a molecular weight of 302.78 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone is sourced from PubChem (CID 114602079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).