1-(2,4-difluorophenyl)-2-(2-ethylcyclohexyl)oxyethanone

C16H20F2O2 — CID 43798188

IUPAC1-(2,4-difluorophenyl)-2-(2-ethylcyclohexyl)oxyethanone
SMILESCCC1CCCCC1OCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H20F2O2/c1-2-11-5-3-4-6-16(11)20-10-15(19)13-8-7-12(17)9-14(13)18/h7-9,11,16H,2-6,10H2,1H3
InChIKeyCQVFFXQCQYBRAR-UHFFFAOYSA-N
MW282.33 g/mol
LogP4.13
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-(2-ethylcyclohexyl)oxyethanone

1-(2,4-difluorophenyl)-2-(2-ethylcyclohexyl)oxyethanone (PubChem CID 43798188) has the molecular formula C16H20F2O2 and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(2-ethylcyclohexyl)oxyethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(2-ethylcyclohexyl)oxyethanone
PubChem CID43798188
Molecular FormulaC16H20F2O2
Molecular Weight282.33 g/mol
Exact Mass282.14
IUPAC Name1-(2,4-difluorophenyl)-2-(2-ethylcyclohexyl)oxyethanone
SMILESCCC1CCCCC1OCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H20F2O2/c1-2-11-5-3-4-6-16(11)20-10-15(19)13-8-7-12(17)9-14(13)18/h7-9,11,16H,2-6,10H2,1H3
InChIKeyCQVFFXQCQYBRAR-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Pibecarb
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(Oxirane-2,3-diyl)bis(phenylmethanone)
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2-Methoxy-1-phenylethanone
CID 77698
2,2-Di-sec-butoxyacetophenone
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Benzoin isobutyl ether
CID 90794
2-(4-Methylphenyl)-2-oxoethyl phenylacetate
CID 789326
2-Oxo-2-phenylethyl 2-phenylacetate
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Ethyl 3,5-difluorobenzoylformate
CID 2758827

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(2-ethylcyclohexyl)oxyethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(2-ethylcyclohexyl)oxyethanone (CID 43798188) is 1-(2,4-difluorophenyl)-2-(2-ethylcyclohexyl)oxyethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(2-ethylcyclohexyl)oxyethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(2-ethylcyclohexyl)oxyethanone is CCC1CCCCC1OCC(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(2-ethylcyclohexyl)oxyethanone?
The InChIKey is CQVFFXQCQYBRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2O2/c1-2-11-5-3-4-6-16(11)20-10-15(19)13-8-7-12(17)9-14(13)18/h7-9,11,16H,2-6,10H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(2-ethylcyclohexyl)oxyethanone?
1-(2,4-difluorophenyl)-2-(2-ethylcyclohexyl)oxyethanone has a molecular weight of 282.33 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(2-ethylcyclohexyl)oxyethanone is sourced from PubChem (CID 43798188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).