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

C18H16F2O — CID 115807934

IUPAC1-(4-cyclobutylphenyl)-2-(2,3-difluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1F)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H16F2O/c19-16-6-2-5-15(18(16)20)11-17(21)14-9-7-13(8-10-14)12-3-1-4-12/h2,5-10,12H,1,3-4,11H2
InChIKeyQOGJMMCVUBSVLS-UHFFFAOYSA-N
MW286.32 g/mol
LogP4.66
Rot. Bonds4

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

1-(4-cyclobutylphenyl)-2-(2,3-difluorophenyl)ethanone (PubChem CID 115807934) has the molecular formula C18H16F2O and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-2-(2,3-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-2-(2,3-difluorophenyl)ethanone
PubChem CID115807934
Molecular FormulaC18H16F2O
Molecular Weight286.32 g/mol
Exact Mass286.12
IUPAC Name1-(4-cyclobutylphenyl)-2-(2,3-difluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1F)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H16F2O/c19-16-6-2-5-15(18(16)20)11-17(21)14-9-7-13(8-10-14)12-3-1-4-12/h2,5-10,12H,1,3-4,11H2
InChIKeyQOGJMMCVUBSVLS-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-2-(2,3-difluorophenyl)ethanone?
The IUPAC name of 1-(4-cyclobutylphenyl)-2-(2,3-difluorophenyl)ethanone (CID 115807934) is 1-(4-cyclobutylphenyl)-2-(2,3-difluorophenyl)ethanone.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-2-(2,3-difluorophenyl)ethanone?
The canonical SMILES for 1-(4-cyclobutylphenyl)-2-(2,3-difluorophenyl)ethanone is O=C(Cc1cccc(F)c1F)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-2-(2,3-difluorophenyl)ethanone?
The InChIKey is QOGJMMCVUBSVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2O/c19-16-6-2-5-15(18(16)20)11-17(21)14-9-7-13(8-10-14)12-3-1-4-12/h2,5-10,12H,1,3-4,11H2.
What are the key properties of 1-(4-cyclobutylphenyl)-2-(2,3-difluorophenyl)ethanone?
1-(4-cyclobutylphenyl)-2-(2,3-difluorophenyl)ethanone has a molecular weight of 286.32 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-2-(2,3-difluorophenyl)ethanone is sourced from PubChem (CID 115807934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).