8-benzyl-3-[3-(difluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol

C21H23F2NO2 — CID 171954689

IUPAC8-benzyl-3-[3-(difluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2cccc(OC(F)F)c2)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C21H23F2NO2/c22-20(23)26-19-8-4-7-16(11-19)21(25)12-17-9-10-18(13-21)24(17)14-15-5-2-1-3-6-15/h1-8,11,17-18,20,25H,9-10,12-14H2
InChIKeyKOWFOZQNAJAVNA-UHFFFAOYSA-N
MW359.42 g/mol
LogP4.30
Rot. Bonds5

About 8-benzyl-3-[3-(difluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol

8-benzyl-3-[3-(difluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171954689) has the molecular formula C21H23F2NO2 and a molecular weight of 359.42 g/mol. Its IUPAC name is 8-benzyl-3-[3-(difluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-benzyl-3-[3-(difluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171954689
Molecular FormulaC21H23F2NO2
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name8-benzyl-3-[3-(difluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2cccc(OC(F)F)c2)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C21H23F2NO2/c22-20(23)26-19-8-4-7-16(11-19)21(25)12-17-9-10-18(13-21)24(17)14-15-5-2-1-3-6-15/h1-8,11,17-18,20,25H,9-10,12-14H2
InChIKeyKOWFOZQNAJAVNA-UHFFFAOYSA-N
XLogP4.30
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-benzyl-3-[3-(difluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961885
9-benzyl-7-(3-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171953338
(1R,5S)-8-benzyl-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13091234
9-benzyl-7-(3-fluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171965098
8-benzyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171956906
8-benzyl-3-(4-methoxy-3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961415
8-benzyl-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962992
8-benzyl-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171956781
8-benzyl-3-[2-(trifluoromethyl)-4-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171954342
4-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-2-fluorobenzonitrile
CID 171960871
1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-[3-(difluoromethoxy)phenyl]ethanone
CID 171949096
(1R,5R)-3-(3-fluorophenyl)-8-[(3-prop-2-ynoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 98137123

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-[3-(difluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-benzyl-3-[3-(difluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 171954689) is 8-benzyl-3-[3-(difluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-benzyl-3-[3-(difluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-benzyl-3-[3-(difluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1(c2cccc(OC(F)F)c2)CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-[3-(difluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is KOWFOZQNAJAVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO2/c22-20(23)26-19-8-4-7-16(11-19)21(25)12-17-9-10-18(13-21)24(17)14-15-5-2-1-3-6-15/h1-8,11,17-18,20,25H,9-10,12-14H2.
What are the key properties of 8-benzyl-3-[3-(difluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-benzyl-3-[3-(difluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 359.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-[3-(difluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171954689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).