8-azabicyclo[3.2.1]octane;2,2,2-trifluoroacetic acid

C9H14F3NO2 — CID 171924897

IUPAC8-azabicyclo[3.2.1]octane;2,2,2-trifluoroacetic acid
SMILESC1CC2CCC(C1)N2.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13N.C2HF3O2/c1-2-6-4-5-7(3-1)8-6;3-2(4,5)1(6)7/h6-8H,1-5H2;(H,6,7)
InChIKeyUCOFCIUAULGPPZ-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.92
Rot. Bonds

About 8-azabicyclo[3.2.1]octane;2,2,2-trifluoroacetic acid

8-azabicyclo[3.2.1]octane;2,2,2-trifluoroacetic acid (PubChem CID 171924897) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octane;2,2,2-trifluoroacetic acid
PubChem CID171924897
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name8-azabicyclo[3.2.1]octane;2,2,2-trifluoroacetic acid
SMILESC1CC2CCC(C1)N2.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13N.C2HF3O2/c1-2-6-4-5-7(3-1)8-6;3-2(4,5)1(6)7/h6-8H,1-5H2;(H,6,7)
InChIKeyUCOFCIUAULGPPZ-UHFFFAOYSA-N
XLogP1.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octane;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-azabicyclo[3.2.1]octane;2,2,2-trifluoroacetic acid (CID 171924897) is 8-azabicyclo[3.2.1]octane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-azabicyclo[3.2.1]octane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-azabicyclo[3.2.1]octane;2,2,2-trifluoroacetic acid is C1CC2CCC(C1)N2.O=C(O)C(F)(F)F.
What is the InChIKey of 8-azabicyclo[3.2.1]octane;2,2,2-trifluoroacetic acid?
The InChIKey is UCOFCIUAULGPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C2HF3O2/c1-2-6-4-5-7(3-1)8-6;3-2(4,5)1(6)7/h6-8H,1-5H2;(H,6,7).
What are the key properties of 8-azabicyclo[3.2.1]octane;2,2,2-trifluoroacetic acid?
8-azabicyclo[3.2.1]octane;2,2,2-trifluoroacetic acid has a molecular weight of 225.21 g/mol, XLogP of 1.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171924897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).