2-(5-bromo-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone

C17H22BrFO — CID 65423697

IUPAC2-(5-bromo-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
SMILESCC(C)C1CCC(C(=O)Cc2cc(Br)ccc2F)CC1
InChIInChI=1S/C17H22BrFO/c1-11(2)12-3-5-13(6-4-12)17(20)10-14-9-15(18)7-8-16(14)19/h7-9,11-13H,3-6,10H2,1-2H3
InChIKeyIYEOEEXKNPTLCV-UHFFFAOYSA-N
MW341.26 g/mol
LogP5.16
Rot. Bonds4

About 2-(5-bromo-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone

2-(5-bromo-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone (PubChem CID 65423697) has the molecular formula C17H22BrFO and a molecular weight of 341.26 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
PubChem CID65423697
Molecular FormulaC17H22BrFO
Molecular Weight341.26 g/mol
Exact Mass340.08
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
SMILESCC(C)C1CCC(C(=O)Cc2cc(Br)ccc2F)CC1
InChIInChI=1S/C17H22BrFO/c1-11(2)12-3-5-13(6-4-12)17(20)10-14-9-15(18)7-8-16(14)19/h7-9,11-13H,3-6,10H2,1-2H3
InChIKeyIYEOEEXKNPTLCV-UHFFFAOYSA-N
XLogP5.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.26
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(5-bromo-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone 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

2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone
CID 62622639
2-(5-bromo-2-fluorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 65393093
2-(5-bromo-2-fluorophenyl)-1-cyclooctylethanone
CID 80602139
1-[4-(aminomethyl)cyclohexyl]-2-(5-bromo-2-fluorophenyl)ethanone
CID 116592532
2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65424476
2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65423303
(5-bromo-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methanone
CID 79742823
2-(3,4-difluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 82920497
3-(5-bromo-2-fluorophenyl)-1,1-dicyclopropylpropan-2-one
CID 112743598
1-[(5-bromo-2-fluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65424139
2-(5-bromo-2-fluorophenyl)-1-(3-ethylcyclohexyl)ethanone
CID 65402932
2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65424657

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone (CID 65423697) is 2-(5-bromo-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone is CC(C)C1CCC(C(=O)Cc2cc(Br)ccc2F)CC1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone?
The InChIKey is IYEOEEXKNPTLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrFO/c1-11(2)12-3-5-13(6-4-12)17(20)10-14-9-15(18)7-8-16(14)19/h7-9,11-13H,3-6,10H2,1-2H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone?
2-(5-bromo-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone has a molecular weight of 341.26 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone is sourced from PubChem (CID 65423697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).