1-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone

C16H18F3NO — CID 171949909

IUPAC1-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccccc1C(F)(F)F)C1CC2CCC(C1)N2
InChIInChI=1S/C16H18F3NO/c17-16(18,19)14-4-2-1-3-10(14)9-15(21)11-7-12-5-6-13(8-11)20-12/h1-4,11-13,20H,5-9H2
InChIKeyKEJYNJDPLCVESS-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.35
Rot. Bonds3

About 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone

1-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone (PubChem CID 171949909) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
PubChem CID171949909
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Name1-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccccc1C(F)(F)F)C1CC2CCC(C1)N2
InChIInChI=1S/C16H18F3NO/c17-16(18,19)14-4-2-1-3-10(14)9-15(21)11-7-12-5-6-13(8-11)20-12/h1-4,11-13,20H,5-9H2
InChIKeyKEJYNJDPLCVESS-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 119456983
1-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 171949918
1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 22247923
1-(2-methylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 112739545
2-[2-(trifluoromethyl)phenyl]acetyl bromide
CID 141376906
1-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanone
CID 171945188
9-azabicyclo[3.3.1]nonan-3-yl-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 171949569
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
benzyl 7-[2-[2-(trifluoromethyl)phenyl]acetyl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171949933
(2S)-3-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 71059351
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone
CID 171944857
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 66010679

Frequently Asked Questions

What is the IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone (CID 171949909) is 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone is O=C(Cc1ccccc1C(F)(F)F)C1CC2CCC(C1)N2.
What is the InChIKey of 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is KEJYNJDPLCVESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO/c17-16(18,19)14-4-2-1-3-10(14)9-15(21)11-7-12-5-6-13(8-11)20-12/h1-4,11-13,20H,5-9H2.
What are the key properties of 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
1-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 297.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 171949909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).