2-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane

C9H14F3N — CID 83484218

IUPAC2-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane
SMILESFC(F)(F)CC1CCC2CCC1N2
InChIInChI=1S/C9H14F3N/c10-9(11,12)5-6-1-2-7-3-4-8(6)13-7/h6-8,13H,1-5H2
InChIKeyIQILNNVMGZBWNL-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.47
Rot. Bonds1

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

2-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane (PubChem CID 83484218) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane
PubChem CID83484218
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name2-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane
SMILESFC(F)(F)CC1CCC2CCC1N2
InChIInChI=1S/C9H14F3N/c10-9(11,12)5-6-1-2-7-3-4-8(6)13-7/h6-8,13H,1-5H2
InChIKeyIQILNNVMGZBWNL-UHFFFAOYSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane (CID 83484218) is 2-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane is FC(F)(F)CC1CCC2CCC1N2.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is IQILNNVMGZBWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c10-9(11,12)5-6-1-2-7-3-4-8(6)13-7/h6-8,13H,1-5H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane?
2-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 193.21 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 83484218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).