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

C16H20F2O — CID 64560411

IUPAC2-(2,4-difluorophenyl)-1-(3-ethylcyclohexyl)ethanone
SMILESCCC1CCCC(C(=O)Cc2ccc(F)cc2F)C1
InChIInChI=1S/C16H20F2O/c1-2-11-4-3-5-13(8-11)16(19)9-12-6-7-14(17)10-15(12)18/h6-7,10-11,13H,2-5,8-9H2,1H3
InChIKeyFSDDFDQUFIZBRP-UHFFFAOYSA-N
MW266.33 g/mol
LogP4.29
Rot. Bonds4

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

2-(2,4-difluorophenyl)-1-(3-ethylcyclohexyl)ethanone (PubChem CID 64560411) has the molecular formula C16H20F2O and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(3-ethylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(3-ethylcyclohexyl)ethanone
PubChem CID64560411
Molecular FormulaC16H20F2O
Molecular Weight266.33 g/mol
Exact Mass266.15
IUPAC Name2-(2,4-difluorophenyl)-1-(3-ethylcyclohexyl)ethanone
SMILESCCC1CCCC(C(=O)Cc2ccc(F)cc2F)C1
InChIInChI=1S/C16H20F2O/c1-2-11-4-3-5-13(8-11)16(19)9-12-6-7-14(17)10-15(12)18/h6-7,10-11,13H,2-5,8-9H2,1H3
InChIKeyFSDDFDQUFIZBRP-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 54.29
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-ethylcyclohexyl)ethanone?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(3-ethylcyclohexyl)ethanone (CID 64560411) is 2-(2,4-difluorophenyl)-1-(3-ethylcyclohexyl)ethanone.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(3-ethylcyclohexyl)ethanone?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(3-ethylcyclohexyl)ethanone is CCC1CCCC(C(=O)Cc2ccc(F)cc2F)C1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(3-ethylcyclohexyl)ethanone?
The InChIKey is FSDDFDQUFIZBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2O/c1-2-11-4-3-5-13(8-11)16(19)9-12-6-7-14(17)10-15(12)18/h6-7,10-11,13H,2-5,8-9H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(3-ethylcyclohexyl)ethanone?
2-(2,4-difluorophenyl)-1-(3-ethylcyclohexyl)ethanone has a molecular weight of 266.33 g/mol, XLogP of 4.29, 4 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-ethylcyclohexyl)ethanone is sourced from PubChem (CID 64560411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).