3-pyridin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane

C13H16F3N3 — CID 134788439

IUPAC3-pyridin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
SMILESFC(F)(F)CN1C2CCC1CN(c1ccccn1)C2
InChIInChI=1S/C13H16F3N3/c14-13(15,16)9-19-10-4-5-11(19)8-18(7-10)12-3-1-2-6-17-12/h1-3,6,10-11H,4-5,7-9H2
InChIKeyHYUZEWZZLKVIOF-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.30
Rot. Bonds2

About 3-pyridin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane

3-pyridin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 134788439) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 3-pyridin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-pyridin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID134788439
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name3-pyridin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
SMILESFC(F)(F)CN1C2CCC1CN(c1ccccn1)C2
InChIInChI=1S/C13H16F3N3/c14-13(15,16)9-19-10-4-5-11(19)8-18(7-10)12-3-1-2-6-17-12/h1-3,6,10-11H,4-5,7-9H2
InChIKeyHYUZEWZZLKVIOF-UHFFFAOYSA-N
XLogP2.30
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-pyridin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane (CID 134788439) is 3-pyridin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-pyridin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-pyridin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane is FC(F)(F)CN1C2CCC1CN(c1ccccn1)C2.
What is the InChIKey of 3-pyridin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is HYUZEWZZLKVIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c14-13(15,16)9-19-10-4-5-11(19)8-18(7-10)12-3-1-2-6-17-12/h1-3,6,10-11H,4-5,7-9H2.
What are the key properties of 3-pyridin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane?
3-pyridin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 271.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 134788439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).