6-tert-butyl-3-(2-fluoro-4-pyridinyl)-3-azabicyclo[3.1.0]hexane;ethane

C16H25FN2 — CID 142422324

IUPAC6-tert-butyl-3-(2-fluoro-4-pyridinyl)-3-azabicyclo[3.1.0]hexane;ethane
SMILESCC.CC(C)(C)C1C2CN(c3ccnc(F)c3)CC21
InChIInChI=1S/C14H19FN2.C2H6/c1-14(2,3)13-10-7-17(8-11(10)13)9-4-5-16-12(15)6-9;1-2/h4-6,10-11,13H,7-8H2,1-3H3;1-2H3
InChIKeyHOQABFKSMWRMOU-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.98
Rot. Bonds1

About 6-tert-butyl-3-(2-fluoro-4-pyridinyl)-3-azabicyclo[3.1.0]hexane;ethane

6-tert-butyl-3-(2-fluoro-4-pyridinyl)-3-azabicyclo[3.1.0]hexane;ethane (PubChem CID 142422324) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 6-tert-butyl-3-(2-fluoro-4-pyridinyl)-3-azabicyclo[3.1.0]hexane;ethane.

Molecular Properties

Compound Name6-tert-butyl-3-(2-fluoro-4-pyridinyl)-3-azabicyclo[3.1.0]hexane;ethane
PubChem CID142422324
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name6-tert-butyl-3-(2-fluoro-4-pyridinyl)-3-azabicyclo[3.1.0]hexane;ethane
SMILESCC.CC(C)(C)C1C2CN(c3ccnc(F)c3)CC21
InChIInChI=1S/C14H19FN2.C2H6/c1-14(2,3)13-10-7-17(8-11(10)13)9-4-5-16-12(15)6-9;1-2/h4-6,10-11,13H,7-8H2,1-3H3;1-2H3
InChIKeyHOQABFKSMWRMOU-UHFFFAOYSA-N
XLogP3.98
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(2-fluoro-4-pyridinyl)-3-azabicyclo[3.1.0]hexane;ethane?
The IUPAC name of 6-tert-butyl-3-(2-fluoro-4-pyridinyl)-3-azabicyclo[3.1.0]hexane;ethane (CID 142422324) is 6-tert-butyl-3-(2-fluoro-4-pyridinyl)-3-azabicyclo[3.1.0]hexane;ethane.
What is the SMILES notation for 6-tert-butyl-3-(2-fluoro-4-pyridinyl)-3-azabicyclo[3.1.0]hexane;ethane?
The canonical SMILES for 6-tert-butyl-3-(2-fluoro-4-pyridinyl)-3-azabicyclo[3.1.0]hexane;ethane is CC.CC(C)(C)C1C2CN(c3ccnc(F)c3)CC21.
What is the InChIKey of 6-tert-butyl-3-(2-fluoro-4-pyridinyl)-3-azabicyclo[3.1.0]hexane;ethane?
The InChIKey is HOQABFKSMWRMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2.C2H6/c1-14(2,3)13-10-7-17(8-11(10)13)9-4-5-16-12(15)6-9;1-2/h4-6,10-11,13H,7-8H2,1-3H3;1-2H3.
What are the key properties of 6-tert-butyl-3-(2-fluoro-4-pyridinyl)-3-azabicyclo[3.1.0]hexane;ethane?
6-tert-butyl-3-(2-fluoro-4-pyridinyl)-3-azabicyclo[3.1.0]hexane;ethane has a molecular weight of 264.39 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(2-fluoro-4-pyridinyl)-3-azabicyclo[3.1.0]hexane;ethane is sourced from PubChem (CID 142422324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).