8-azabicyclo[3.2.1]octan-3-yl-[3-methoxy-4-(trifluoromethyl)phenyl]methanone

C16H18F3NO2 — CID 171942745

IUPAC8-azabicyclo[3.2.1]octan-3-yl-[3-methoxy-4-(trifluoromethyl)phenyl]methanone
SMILESCOc1cc(C(=O)C2CC3CCC(C2)N3)ccc1C(F)(F)F
InChIInChI=1S/C16H18F3NO2/c1-22-14-8-9(2-5-13(14)16(17,18)19)15(21)10-6-11-3-4-12(7-10)20-11/h2,5,8,10-12,20H,3-4,6-7H2,1H3
InChIKeyGWAPEYZOQJKEEV-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.43
Rot. Bonds3

About 8-azabicyclo[3.2.1]octan-3-yl-[3-methoxy-4-(trifluoromethyl)phenyl]methanone

8-azabicyclo[3.2.1]octan-3-yl-[3-methoxy-4-(trifluoromethyl)phenyl]methanone (PubChem CID 171942745) has the molecular formula C16H18F3NO2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl-[3-methoxy-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl-[3-methoxy-4-(trifluoromethyl)phenyl]methanone
PubChem CID171942745
Molecular FormulaC16H18F3NO2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl-[3-methoxy-4-(trifluoromethyl)phenyl]methanone
SMILESCOc1cc(C(=O)C2CC3CCC(C2)N3)ccc1C(F)(F)F
InChIInChI=1S/C16H18F3NO2/c1-22-14-8-9(2-5-13(14)16(17,18)19)15(21)10-6-11-3-4-12(7-10)20-11/h2,5,8,10-12,20H,3-4,6-7H2,1H3
InChIKeyGWAPEYZOQJKEEV-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(8-azabicyclo[3.2.1]octane-3-carbonyl)-2-methoxybenzonitrile
CID 171939722
9-azabicyclo[3.3.1]nonan-3-yl-[3-(trifluoromethyl)phenyl]methanone
CID 171941494
8-azabicyclo[3.2.1]octan-3-yl-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]methanone
CID 171939597
8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone
CID 171947080
9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone
CID 171943405
8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone
CID 171941310
7-azabicyclo[2.2.1]heptan-2-yl-(3,4-dimethoxyphenyl)methanone
CID 116575997
8-azabicyclo[3.2.1]octan-3-yl-(3,5-dimethylphenyl)methanone
CID 171944750
8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone
CID 171946208
8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone
CID 171943170
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,4-dimethoxyphenyl)ethanone
CID 116588327
1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
CID 171940818

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-[3-methoxy-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-[3-methoxy-4-(trifluoromethyl)phenyl]methanone (CID 171942745) is 8-azabicyclo[3.2.1]octan-3-yl-[3-methoxy-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl-[3-methoxy-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl-[3-methoxy-4-(trifluoromethyl)phenyl]methanone is COc1cc(C(=O)C2CC3CCC(C2)N3)ccc1C(F)(F)F.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl-[3-methoxy-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is GWAPEYZOQJKEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO2/c1-22-14-8-9(2-5-13(14)16(17,18)19)15(21)10-6-11-3-4-12(7-10)20-11/h2,5,8,10-12,20H,3-4,6-7H2,1H3.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl-[3-methoxy-4-(trifluoromethyl)phenyl]methanone?
8-azabicyclo[3.2.1]octan-3-yl-[3-methoxy-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 313.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl-[3-methoxy-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 171942745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).