1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

C15H17F2NO2 — CID 63763175

IUPAC1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESO=C(CN1C2CCC1CC(O)C2)c1ccc(F)cc1F
InChIInChI=1S/C15H17F2NO2/c16-9-1-4-13(14(17)5-9)15(20)8-18-10-2-3-11(18)7-12(19)6-10/h1,4-5,10-12,19H,2-3,6-8H2
InChIKeyURXCKUAJVCPNSF-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.14
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 63763175) has the molecular formula C15H17F2NO2 and a molecular weight of 281.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID63763175
Molecular FormulaC15H17F2NO2
Molecular Weight281.30 g/mol
Exact Mass281.12
IUPAC Name1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESO=C(CN1C2CCC1CC(O)C2)c1ccc(F)cc1F
InChIInChI=1S/C15H17F2NO2/c16-9-1-4-13(14(17)5-9)15(20)8-18-10-2-3-11(18)7-12(19)6-10/h1,4-5,10-12,19H,2-3,6-8H2
InChIKeyURXCKUAJVCPNSF-UHFFFAOYSA-N
XLogP2.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62942450
1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 63763871
2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62029010
1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone
CID 43227135
2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62091099
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 43228924
2-(2,4-difluorophenyl)sulfanyl-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 63764152
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone
CID 55178865
2-cycloheptyl-1-(2,4-difluorophenyl)ethanone
CID 114457285
4-tert-butyl-1-[2-(2,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512276
(4-chloro-2-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63763941
N-(2,4-difluorophenyl)-3-[[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]benzamide
CID 56715857

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 63763175) is 1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is O=C(CN1C2CCC1CC(O)C2)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is URXCKUAJVCPNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO2/c16-9-1-4-13(14(17)5-9)15(20)8-18-10-2-3-11(18)7-12(19)6-10/h1,4-5,10-12,19H,2-3,6-8H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 281.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 63763175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).