8-[2-(aminomethyl)-3,3,3-trifluoropropyl]-8-azabicyclo[3.2.1]octan-3-ol

C11H19F3N2O — CID 103366355

IUPAC8-[2-(aminomethyl)-3,3,3-trifluoropropyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESNCC(CN1C2CCC1CC(O)C2)C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)7(5-15)6-16-8-1-2-9(16)4-10(17)3-8/h7-10,17H,1-6,15H2
InChIKeyPBDSZAAHRKXAEV-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.11
Rot. Bonds3

About 8-[2-(aminomethyl)-3,3,3-trifluoropropyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[2-(aminomethyl)-3,3,3-trifluoropropyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 103366355) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 8-[2-(aminomethyl)-3,3,3-trifluoropropyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-(aminomethyl)-3,3,3-trifluoropropyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID103366355
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name8-[2-(aminomethyl)-3,3,3-trifluoropropyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESNCC(CN1C2CCC1CC(O)C2)C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)7(5-15)6-16-8-1-2-9(16)4-10(17)3-8/h7-10,17H,1-6,15H2
InChIKeyPBDSZAAHRKXAEV-UHFFFAOYSA-N
XLogP1.11
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(aminomethyl)-3,3,3-trifluoropropyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-(aminomethyl)-3,3,3-trifluoropropyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 103366355) is 8-[2-(aminomethyl)-3,3,3-trifluoropropyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-(aminomethyl)-3,3,3-trifluoropropyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-(aminomethyl)-3,3,3-trifluoropropyl]-8-azabicyclo[3.2.1]octan-3-ol is NCC(CN1C2CCC1CC(O)C2)C(F)(F)F.
What is the InChIKey of 8-[2-(aminomethyl)-3,3,3-trifluoropropyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is PBDSZAAHRKXAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)7(5-15)6-16-8-1-2-9(16)4-10(17)3-8/h7-10,17H,1-6,15H2.
What are the key properties of 8-[2-(aminomethyl)-3,3,3-trifluoropropyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-(aminomethyl)-3,3,3-trifluoropropyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 252.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(aminomethyl)-3,3,3-trifluoropropyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 103366355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).