2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone

C16H20ClFO2 — CID 116748475

IUPAC2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc(F)cc2Cl)CCCCC1
InChIInChI=1S/C16H20ClFO2/c1-2-20-16(8-4-3-5-9-16)15(19)10-12-6-7-13(18)11-14(12)17/h6-7,11H,2-5,8-10H2,1H3
InChIKeyAHLDCJDILDOYBG-UHFFFAOYSA-N
MW298.78 g/mol
LogP4.33
Rot. Bonds5

About 2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone

2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone (PubChem CID 116748475) has the molecular formula C16H20ClFO2 and a molecular weight of 298.78 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone
PubChem CID116748475
Molecular FormulaC16H20ClFO2
Molecular Weight298.78 g/mol
Exact Mass298.11
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc(F)cc2Cl)CCCCC1
InChIInChI=1S/C16H20ClFO2/c1-2-20-16(8-4-3-5-9-16)15(19)10-12-6-7-13(18)11-14(12)17/h6-7,11H,2-5,8-10H2,1H3
InChIKeyAHLDCJDILDOYBG-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347390
1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116747889
2-(2-chloro-4-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750372
1-[1-(aminomethyl)cycloheptyl]-2-(2-chloro-4-fluorophenyl)ethanone
CID 116602151
2-(2,4-dichlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
CID 116749468
2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749944
2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570337
2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanone
CID 116748785
(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone
CID 116750841
(1-ethoxycyclohexyl)-(4-fluorophenyl)methanone
CID 116748423
2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747912
1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116747950

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone (CID 116748475) is 2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone is CCOC1(C(=O)Cc2ccc(F)cc2Cl)CCCCC1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone?
The InChIKey is AHLDCJDILDOYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFO2/c1-2-20-16(8-4-3-5-9-16)15(19)10-12-6-7-13(18)11-14(12)17/h6-7,11H,2-5,8-10H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone?
2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone has a molecular weight of 298.78 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone is sourced from PubChem (CID 116748475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).