2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone

C16H20ClFO — CID 112653394

IUPAC2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone
SMILESO=C(Cc1cccc(F)c1Cl)C1CCCCCCC1
InChIInChI=1S/C16H20ClFO/c17-16-13(9-6-10-14(16)18)11-15(19)12-7-4-2-1-3-5-8-12/h6,9-10,12H,1-5,7-8,11H2
InChIKeyQAGNGRACEZIRNQ-UHFFFAOYSA-N
MW282.79 g/mol
LogP4.95
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone

2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone (PubChem CID 112653394) has the molecular formula C16H20ClFO and a molecular weight of 282.79 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone
PubChem CID112653394
Molecular FormulaC16H20ClFO
Molecular Weight282.79 g/mol
Exact Mass282.12
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone
SMILESO=C(Cc1cccc(F)c1Cl)C1CCCCCCC1
InChIInChI=1S/C16H20ClFO/c17-16-13(9-6-10-14(16)18)11-15(19)12-7-4-2-1-3-5-8-12/h6,9-10,12H,1-5,7-8,11H2
InChIKeyQAGNGRACEZIRNQ-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 82802271
2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone
CID 112653344
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 103047938
2-(2-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanone
CID 107187410
2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 114853673
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone
CID 112653355
2-(2-chlorophenyl)-1-cyclobutylethanone
CID 61054249
1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 115831211
2-(4-chlorophenyl)-1-cycloheptylethanone
CID 62588703
2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone
CID 103039315

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone (CID 112653394) is 2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone is O=C(Cc1cccc(F)c1Cl)C1CCCCCCC1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone?
The InChIKey is QAGNGRACEZIRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFO/c17-16-13(9-6-10-14(16)18)11-15(19)12-7-4-2-1-3-5-8-12/h6,9-10,12H,1-5,7-8,11H2.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone?
2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone has a molecular weight of 282.79 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone is sourced from PubChem (CID 112653394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).