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

C17H21F2NO2 — CID 171949110

IUPAC2-[2-(difluoromethoxy)phenyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCN1C2CCC1CC(C(=O)Cc1ccccc1OC(F)F)C2
InChIInChI=1S/C17H21F2NO2/c1-20-13-6-7-14(20)9-12(8-13)15(21)10-11-4-2-3-5-16(11)22-17(18)19/h2-5,12-14,17H,6-10H2,1H3
InChIKeyLHWWTVATKUMHIG-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.27
Rot. Bonds5

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

2-[2-(difluoromethoxy)phenyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone (PubChem CID 171949110) has the molecular formula C17H21F2NO2 and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
PubChem CID171949110
Molecular FormulaC17H21F2NO2
Molecular Weight309.36 g/mol
Exact Mass309.15
IUPAC Name2-[2-(difluoromethoxy)phenyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCN1C2CCC1CC(C(=O)Cc1ccccc1OC(F)F)C2
InChIInChI=1S/C17H21F2NO2/c1-20-13-6-7-14(20)9-12(8-13)15(21)10-11-4-2-3-5-16(11)22-17(18)19/h2-5,12-14,17H,6-10H2,1H3
InChIKeyLHWWTVATKUMHIG-UHFFFAOYSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(difluoromethoxy)phenyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone with MolForge

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Related Compounds

2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 115997761
2-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxoethyl]benzonitrile
CID 171946569
2-(2-bromo-3-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 115997800
2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 114347355
2-(5-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 105373360
1-[2-[2-(difluoromethoxy)phenyl]acetyl]piperidine-4-carboxylic acid
CID 119166793
1-[2-[2-(difluoromethoxy)phenyl]acetyl]pyrrolidine-3-carboxylic acid
CID 119354951
1-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122121437
methyl 1-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112730646
3-[[2-(difluoromethoxy)phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
CID 171975013
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 171949810
1-cyclobutyl-2-(2-methoxyphenyl)ethanone
CID 61079535

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone (CID 171949110) is 2-[2-(difluoromethoxy)phenyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone is CN1C2CCC1CC(C(=O)Cc1ccccc1OC(F)F)C2.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
The InChIKey is LHWWTVATKUMHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NO2/c1-20-13-6-7-14(20)9-12(8-13)15(21)10-11-4-2-3-5-16(11)22-17(18)19/h2-5,12-14,17H,6-10H2,1H3.
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
2-[2-(difluoromethoxy)phenyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone has a molecular weight of 309.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone is sourced from PubChem (CID 171949110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).