1-(3,4-difluorophenyl)-2-(2-methylcyclohexyl)oxyethanone

C15H18F2O2 — CID 43798478

IUPAC1-(3,4-difluorophenyl)-2-(2-methylcyclohexyl)oxyethanone
SMILESCC1CCCCC1OCC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2O2/c1-10-4-2-3-5-15(10)19-9-14(18)11-6-7-12(16)13(17)8-11/h6-8,10,15H,2-5,9H2,1H3
InChIKeyKSDRINKDZXXYLK-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.74
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2-(2-methylcyclohexyl)oxyethanone

1-(3,4-difluorophenyl)-2-(2-methylcyclohexyl)oxyethanone (PubChem CID 43798478) has the molecular formula C15H18F2O2 and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(2-methylcyclohexyl)oxyethanone.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(2-methylcyclohexyl)oxyethanone
PubChem CID43798478
Molecular FormulaC15H18F2O2
Molecular Weight268.30 g/mol
Exact Mass268.13
IUPAC Name1-(3,4-difluorophenyl)-2-(2-methylcyclohexyl)oxyethanone
SMILESCC1CCCCC1OCC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2O2/c1-10-4-2-3-5-15(10)19-9-14(18)11-6-7-12(16)13(17)8-11/h6-8,10,15H,2-5,9H2,1H3
InChIKeyKSDRINKDZXXYLK-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(2-methylcyclohexyl)oxyethanone?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(2-methylcyclohexyl)oxyethanone (CID 43798478) is 1-(3,4-difluorophenyl)-2-(2-methylcyclohexyl)oxyethanone.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(2-methylcyclohexyl)oxyethanone?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(2-methylcyclohexyl)oxyethanone is CC1CCCCC1OCC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(2-methylcyclohexyl)oxyethanone?
The InChIKey is KSDRINKDZXXYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O2/c1-10-4-2-3-5-15(10)19-9-14(18)11-6-7-12(16)13(17)8-11/h6-8,10,15H,2-5,9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(2-methylcyclohexyl)oxyethanone?
1-(3,4-difluorophenyl)-2-(2-methylcyclohexyl)oxyethanone has a molecular weight of 268.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(2-methylcyclohexyl)oxyethanone is sourced from PubChem (CID 43798478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).