8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid

C9H15F3N2O2 — CID 68776837

IUPAC8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid
SMILESNC1CC2CCC(C1)N2.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2.C2HF3O2/c8-5-3-6-1-2-7(4-5)9-6;3-2(4,5)1(6)7/h5-7,9H,1-4,8H2;(H,6,7)
InChIKeyBDWXYRPCEFIQAE-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.86
Rot. Bonds

About 8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid

8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 68776837) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid
PubChem CID68776837
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid
SMILESNC1CC2CCC(C1)N2.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2.C2HF3O2/c8-5-3-6-1-2-7(4-5)9-6;3-2(4,5)1(6)7/h5-7,9H,1-4,8H2;(H,6,7)
InChIKeyBDWXYRPCEFIQAE-UHFFFAOYSA-N
XLogP0.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid (CID 68776837) is 8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid is NC1CC2CCC(C1)N2.O=C(O)C(F)(F)F.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is BDWXYRPCEFIQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C2HF3O2/c8-5-3-6-1-2-7(4-5)9-6;3-2(4,5)1(6)7/h5-7,9H,1-4,8H2;(H,6,7).
What are the key properties of 8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid?
8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 240.22 g/mol, XLogP of 0.86, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68776837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).