3-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octane

C9H14F3NO — CID 130481076

IUPAC3-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octane
SMILESFC(F)(F)COC1CC2CCC(C1)N2
InChIInChI=1S/C9H14F3NO/c10-9(11,12)5-14-8-3-6-1-2-7(4-8)13-6/h6-8,13H,1-5H2
InChIKeyQBNIQFFQPQVYEJ-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.85
Rot. Bonds2

About 3-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octane

3-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octane (PubChem CID 130481076) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octane
PubChem CID130481076
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name3-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octane
SMILESFC(F)(F)COC1CC2CCC(C1)N2
InChIInChI=1S/C9H14F3NO/c10-9(11,12)5-14-8-3-6-1-2-7(4-8)13-6/h6-8,13H,1-5H2
InChIKeyQBNIQFFQPQVYEJ-UHFFFAOYSA-N
XLogP1.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-(2,2,2-trifluoroethoxy)cyclobutane
CID 66345295
3-(2,2-difluoroethoxy)-8-azabicyclo[3.2.1]octane
CID 130481082
2,2,2-trifluoroethoxycycloheptane
CID 148866146
3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane
CID 91623920
(1S,5R)-3-[[2-(trifluoromethoxy)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68674533
3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane;hydrochloride
CID 91623919
(1R,5S)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane
CID 68675499
1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane
CID 21137277
N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61491666
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103805909
3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane
CID 122242169
(1S,5R)-3-[[4-(fluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68674572

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octane (CID 130481076) is 3-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octane is FC(F)(F)COC1CC2CCC(C1)N2.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octane?
The InChIKey is QBNIQFFQPQVYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)5-14-8-3-6-1-2-7(4-8)13-6/h6-8,13H,1-5H2.
What are the key properties of 3-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octane?
3-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octane has a molecular weight of 209.21 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 130481076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).