2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone

C17H22F2O2 — CID 116749944

IUPAC2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc(F)cc2F)CCCC(C)C1
InChIInChI=1S/C17H22F2O2/c1-3-21-17(8-4-5-12(2)11-17)16(20)9-13-6-7-14(18)10-15(13)19/h6-7,10,12H,3-5,8-9,11H2,1-2H3
InChIKeyQBUYDBOGSRKUIF-UHFFFAOYSA-N
MW296.36 g/mol
LogP4.06
Rot. Bonds5

About 2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone

2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone (PubChem CID 116749944) has the molecular formula C17H22F2O2 and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
PubChem CID116749944
Molecular FormulaC17H22F2O2
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc(F)cc2F)CCCC(C)C1
InChIInChI=1S/C17H22F2O2/c1-3-21-17(8-4-5-12(2)11-17)16(20)9-13-6-7-14(18)10-15(13)19/h6-7,10,12H,3-5,8-9,11H2,1-2H3
InChIKeyQBUYDBOGSRKUIF-UHFFFAOYSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 105405541
2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062448
1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone
CID 116749856
2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749232
2-(2,6-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749946
2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749891
1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347390
1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116749979
2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748475
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749855
(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 116749993
2-(2,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750334

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone (CID 116749944) is 2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone is CCOC1(C(=O)Cc2ccc(F)cc2F)CCCC(C)C1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone?
The InChIKey is QBUYDBOGSRKUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2O2/c1-3-21-17(8-4-5-12(2)11-17)16(20)9-13-6-7-14(18)10-15(13)19/h6-7,10,12H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone?
2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone has a molecular weight of 296.36 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone is sourced from PubChem (CID 116749944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).