1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-2-ethoxyethanone

C16H20ClFO2 — CID 116751154

IUPAC1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-2-ethoxyethanone
SMILESCCOC(C(=O)c1ccc(Cl)cc1F)C1CCCCC1
InChIInChI=1S/C16H20ClFO2/c1-2-20-16(11-6-4-3-5-7-11)15(19)13-9-8-12(17)10-14(13)18/h8-11,16H,2-7H2,1H3
InChIKeyJVIFBHQYRPHVQU-UHFFFAOYSA-N
MW298.78 g/mol
LogP4.65
Rot. Bonds5

About 1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-2-ethoxyethanone

1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-2-ethoxyethanone (PubChem CID 116751154) has the molecular formula C16H20ClFO2 and a molecular weight of 298.78 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-2-ethoxyethanone.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-2-ethoxyethanone
PubChem CID116751154
Molecular FormulaC16H20ClFO2
Molecular Weight298.78 g/mol
Exact Mass298.11
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-2-ethoxyethanone
SMILESCCOC(C(=O)c1ccc(Cl)cc1F)C1CCCCC1
InChIInChI=1S/C16H20ClFO2/c1-2-20-16(11-6-4-3-5-7-11)15(19)13-9-8-12(17)10-14(13)18/h8-11,16H,2-7H2,1H3
InChIKeyJVIFBHQYRPHVQU-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-pyridinyl)ethanone
CID 116751283
1-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-ethoxyethanone
CID 116709215
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
CID 116751294
1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone
CID 116750880
2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-2-ethoxyethanone
CID 116709249
2-cyclohexyl-2-ethoxy-1-(3-ethylphenyl)ethanone
CID 116751155
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204
1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one
CID 107308047
(4-chloro-2-fluorophenyl)-cyclopentylmethanone
CID 24724178
ethyl 2-(4-chloro-2-fluorophenyl)-2-(cyclohexylamino)acetate
CID 114843746
4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide
CID 112805278
4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide
CID 61123792

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-2-ethoxyethanone?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-2-ethoxyethanone (CID 116751154) is 1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-2-ethoxyethanone.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-2-ethoxyethanone?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-2-ethoxyethanone is CCOC(C(=O)c1ccc(Cl)cc1F)C1CCCCC1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-2-ethoxyethanone?
The InChIKey is JVIFBHQYRPHVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFO2/c1-2-20-16(11-6-4-3-5-7-11)15(19)13-9-8-12(17)10-14(13)18/h8-11,16H,2-7H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-2-ethoxyethanone?
1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-2-ethoxyethanone has a molecular weight of 298.78 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-2-ethoxyethanone is sourced from PubChem (CID 116751154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).