8-methyl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane

C10H17F3N2O — CID 169201862

IUPAC8-methyl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane
SMILESCN1C2CCC1CN(CCOC(F)(F)F)C2
InChIInChI=1S/C10H17F3N2O/c1-14-8-2-3-9(14)7-15(6-8)4-5-16-10(11,12)13/h8-9H,2-7H2,1H3
InChIKeyTXTNBJACSWGEFZ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.30
Rot. Bonds3

About 8-methyl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane

8-methyl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane (PubChem CID 169201862) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 8-methyl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane
PubChem CID169201862
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name8-methyl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane
SMILESCN1C2CCC1CN(CCOC(F)(F)F)C2
InChIInChI=1S/C10H17F3N2O/c1-14-8-2-3-9(14)7-15(6-8)4-5-16-10(11,12)13/h8-9H,2-7H2,1H3
InChIKeyTXTNBJACSWGEFZ-UHFFFAOYSA-N
XLogP1.30
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane (CID 169201862) is 8-methyl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane is CN1C2CCC1CN(CCOC(F)(F)F)C2.
What is the InChIKey of 8-methyl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is TXTNBJACSWGEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-14-8-2-3-9(14)7-15(6-8)4-5-16-10(11,12)13/h8-9H,2-7H2,1H3.
What are the key properties of 8-methyl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane?
8-methyl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 238.25 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 169201862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).