2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanone

C16H20F2O — CID 64740615

IUPAC2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanone
SMILESCC1CCC(C(=O)Cc2ccc(F)cc2F)CC1C
InChIInChI=1S/C16H20F2O/c1-10-3-4-13(7-11(10)2)16(19)8-12-5-6-14(17)9-15(12)18/h5-6,9-11,13H,3-4,7-8H2,1-2H3
InChIKeyJCWMHXJVEZBZLR-UHFFFAOYSA-N
MW266.33 g/mol
LogP4.15
Rot. Bonds3

About 2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanone

2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanone (PubChem CID 64740615) has the molecular formula C16H20F2O and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanone
PubChem CID64740615
Molecular FormulaC16H20F2O
Molecular Weight266.33 g/mol
Exact Mass266.15
IUPAC Name2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanone
SMILESCC1CCC(C(=O)Cc2ccc(F)cc2F)CC1C
InChIInChI=1S/C16H20F2O/c1-10-3-4-13(7-11(10)2)16(19)8-12-5-6-14(17)9-15(12)18/h5-6,9-11,13H,3-4,7-8H2,1-2H3
InChIKeyJCWMHXJVEZBZLR-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanone?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanone (CID 64740615) is 2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanone.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanone?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanone is CC1CCC(C(=O)Cc2ccc(F)cc2F)CC1C.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanone?
The InChIKey is JCWMHXJVEZBZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2O/c1-10-3-4-13(7-11(10)2)16(19)8-12-5-6-14(17)9-15(12)18/h5-6,9-11,13H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanone?
2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanone has a molecular weight of 266.33 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanone is sourced from PubChem (CID 64740615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).