3,9-dimethyl-2-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane

C11H18F3N — CID 58479339

IUPAC3,9-dimethyl-2-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane
SMILESCC1CC2CCCC(C1C(F)(F)F)N2C
InChIInChI=1S/C11H18F3N/c1-7-6-8-4-3-5-9(15(8)2)10(7)11(12,13)14/h7-10H,3-6H2,1-2H3
InChIKeyZUWGMNRGVDHOIV-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.06
Rot. Bonds

About 3,9-dimethyl-2-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane

3,9-dimethyl-2-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane (PubChem CID 58479339) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is 3,9-dimethyl-2-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3,9-dimethyl-2-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane
PubChem CID58479339
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name3,9-dimethyl-2-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane
SMILESCC1CC2CCCC(C1C(F)(F)F)N2C
InChIInChI=1S/C11H18F3N/c1-7-6-8-4-3-5-9(15(8)2)10(7)11(12,13)14/h7-10H,3-6H2,1-2H3
InChIKeyZUWGMNRGVDHOIV-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-2-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 3,9-dimethyl-2-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane (CID 58479339) is 3,9-dimethyl-2-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 3,9-dimethyl-2-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 3,9-dimethyl-2-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane is CC1CC2CCCC(C1C(F)(F)F)N2C.
What is the InChIKey of 3,9-dimethyl-2-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane?
The InChIKey is ZUWGMNRGVDHOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N/c1-7-6-8-4-3-5-9(15(8)2)10(7)11(12,13)14/h7-10H,3-6H2,1-2H3.
What are the key properties of 3,9-dimethyl-2-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane?
3,9-dimethyl-2-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane has a molecular weight of 221.27 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-2-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 58479339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).