N-(3,3,3-trifluoropropyl)-1-azabicyclo[3.2.2]nonan-4-amine

C11H19F3N2 — CID 83824440

IUPACN-(3,3,3-trifluoropropyl)-1-azabicyclo[3.2.2]nonan-4-amine
SMILESFC(F)(F)CCNC1CCN2CCC1CC2
InChIInChI=1S/C11H19F3N2/c12-11(13,14)4-5-15-10-3-8-16-6-1-9(10)2-7-16/h9-10,15H,1-8H2
InChIKeyQXOSQRUEEXVMGN-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.01
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)-1-azabicyclo[3.2.2]nonan-4-amine

N-(3,3,3-trifluoropropyl)-1-azabicyclo[3.2.2]nonan-4-amine (PubChem CID 83824440) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-1-azabicyclo[3.2.2]nonan-4-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-1-azabicyclo[3.2.2]nonan-4-amine
PubChem CID83824440
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC NameN-(3,3,3-trifluoropropyl)-1-azabicyclo[3.2.2]nonan-4-amine
SMILESFC(F)(F)CCNC1CCN2CCC1CC2
InChIInChI=1S/C11H19F3N2/c12-11(13,14)4-5-15-10-3-8-16-6-1-9(10)2-7-16/h9-10,15H,1-8H2
InChIKeyQXOSQRUEEXVMGN-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-1-azabicyclo[3.2.2]nonan-4-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)-1-azabicyclo[3.2.2]nonan-4-amine (CID 83824440) is N-(3,3,3-trifluoropropyl)-1-azabicyclo[3.2.2]nonan-4-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-1-azabicyclo[3.2.2]nonan-4-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-1-azabicyclo[3.2.2]nonan-4-amine is FC(F)(F)CCNC1CCN2CCC1CC2.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-1-azabicyclo[3.2.2]nonan-4-amine?
The InChIKey is QXOSQRUEEXVMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c12-11(13,14)4-5-15-10-3-8-16-6-1-9(10)2-7-16/h9-10,15H,1-8H2.
What are the key properties of N-(3,3,3-trifluoropropyl)-1-azabicyclo[3.2.2]nonan-4-amine?
N-(3,3,3-trifluoropropyl)-1-azabicyclo[3.2.2]nonan-4-amine has a molecular weight of 236.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-1-azabicyclo[3.2.2]nonan-4-amine is sourced from PubChem (CID 83824440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).