2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)ethanone

C15H18FNO — CID 116588289

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)ethanone
SMILESO=C(CC1CC2CCC(C1)N2)c1ccc(F)cc1
InChIInChI=1S/C15H18FNO/c16-12-3-1-11(2-4-12)15(18)9-10-7-13-5-6-14(8-10)17-13/h1-4,10,13-14,17H,5-9H2
InChIKeyLPDNDZGVRBQFGO-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.93
Rot. Bonds3

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)ethanone (PubChem CID 116588289) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)ethanone
PubChem CID116588289
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)ethanone
SMILESO=C(CC1CC2CCC(C1)N2)c1ccc(F)cc1
InChIInChI=1S/C15H18FNO/c16-12-3-1-11(2-4-12)15(18)9-10-7-13-5-6-14(8-10)17-13/h1-4,10,13-14,17H,5-9H2
InChIKeyLPDNDZGVRBQFGO-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-1-[6-(3-fluorophenyl)-3-pyridinyl]ethanone
CID 58549986
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,4-dimethoxyphenyl)ethanone
CID 116588327
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]-4-fluorobenzamide
CID 119782993
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluorophenyl)-N-methylacetamide
CID 79615312
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 79611017
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-bromo-2,6-difluorophenyl)ethanone
CID 106944089
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-quinolin-3-ylethanone
CID 116588254
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119827516
3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane
CID 22287007
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(4-fluorophenyl)methyl]acetamide
CID 119735363
3-cyclopropyl-1-(4-fluorophenyl)propan-1-one
CID 18507946

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)ethanone (CID 116588289) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)ethanone is O=C(CC1CC2CCC(C1)N2)c1ccc(F)cc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)ethanone?
The InChIKey is LPDNDZGVRBQFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c16-12-3-1-11(2-4-12)15(18)9-10-7-13-5-6-14(8-10)17-13/h1-4,10,13-14,17H,5-9H2.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)ethanone?
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)ethanone has a molecular weight of 247.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 116588289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).