3-[3-[3-(trifluoromethoxy)phenyl]phenoxy]-8-azabicyclo[3.2.1]octane

C20H20F3NO2 — CID 66882043

IUPAC3-[3-[3-(trifluoromethoxy)phenyl]phenoxy]-8-azabicyclo[3.2.1]octane
SMILESFC(F)(F)Oc1cccc(-c2cccc(OC3CC4CCC(C3)N4)c2)c1
InChIInChI=1S/C20H20F3NO2/c21-20(22,23)26-18-6-2-4-14(10-18)13-3-1-5-17(9-13)25-19-11-15-7-8-16(12-19)24-15/h1-6,9-10,15-16,19,24H,7-8,11-12H2
InChIKeySCEKJCVZDOVFMQ-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.91
Rot. Bonds4

About 3-[3-[3-(trifluoromethoxy)phenyl]phenoxy]-8-azabicyclo[3.2.1]octane

3-[3-[3-(trifluoromethoxy)phenyl]phenoxy]-8-azabicyclo[3.2.1]octane (PubChem CID 66882043) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 3-[3-[3-(trifluoromethoxy)phenyl]phenoxy]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[3-[3-(trifluoromethoxy)phenyl]phenoxy]-8-azabicyclo[3.2.1]octane
PubChem CID66882043
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name3-[3-[3-(trifluoromethoxy)phenyl]phenoxy]-8-azabicyclo[3.2.1]octane
SMILESFC(F)(F)Oc1cccc(-c2cccc(OC3CC4CCC(C3)N4)c2)c1
InChIInChI=1S/C20H20F3NO2/c21-20(22,23)26-18-6-2-4-14(10-18)13-3-1-5-17(9-13)25-19-11-15-7-8-16(12-19)24-15/h1-6,9-10,15-16,19,24H,7-8,11-12H2
InChIKeySCEKJCVZDOVFMQ-UHFFFAOYSA-N
XLogP4.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-Fluoro-phenoxy)-phenyl-methyl]-piperidine
CID 9795842
4-[(3-Fluoro-phenoxy)-phenyl-methyl]-piperidine
CID 9817317
4-[(4-Fluoro-phenoxy)-(4-fluoro-phenyl)-methyl]-piperidine
CID 9817902
(2-Isopropoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 10272852
N-(2-methoxy-5-(trifluoromethoxy)benzyl)-1-phenyl-8-aza-bicyclo[3.2.1]octan-2-amine
CID 44407325
N-(2-cyclopropoxy-5-(trifluoromethoxy)benzyl)-1-phenyl-8-aza-bicyclo[3.2.1]octan-2-amine
CID 44407427
Ampreloxetine
CID 46189893
4-(2-Benzylphenoxy)piperidine
CID 23722970
4-{3-[(3-Fluorophenyl)methoxy]-2-methylphenyl}piperidine
CID 25263313
4-{3-[(3,4-Difluorophenyl)methoxy]-2-methylphenyl}piperidine
CID 25263317
4-{3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl}piperidine
CID 25263320
4-{3-[(1R)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl}piperidine
CID 25263321

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(trifluoromethoxy)phenyl]phenoxy]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[3-[3-(trifluoromethoxy)phenyl]phenoxy]-8-azabicyclo[3.2.1]octane (CID 66882043) is 3-[3-[3-(trifluoromethoxy)phenyl]phenoxy]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[3-[3-(trifluoromethoxy)phenyl]phenoxy]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[3-[3-(trifluoromethoxy)phenyl]phenoxy]-8-azabicyclo[3.2.1]octane is FC(F)(F)Oc1cccc(-c2cccc(OC3CC4CCC(C3)N4)c2)c1.
What is the InChIKey of 3-[3-[3-(trifluoromethoxy)phenyl]phenoxy]-8-azabicyclo[3.2.1]octane?
The InChIKey is SCEKJCVZDOVFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO2/c21-20(22,23)26-18-6-2-4-14(10-18)13-3-1-5-17(9-13)25-19-11-15-7-8-16(12-19)24-15/h1-6,9-10,15-16,19,24H,7-8,11-12H2.
What are the key properties of 3-[3-[3-(trifluoromethoxy)phenyl]phenoxy]-8-azabicyclo[3.2.1]octane?
3-[3-[3-(trifluoromethoxy)phenyl]phenoxy]-8-azabicyclo[3.2.1]octane has a molecular weight of 363.38 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(trifluoromethoxy)phenyl]phenoxy]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66882043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).