3,6-ditert-butyl-6-fluoro-3-azabicyclo[3.1.0]hexane

C13H24FN — CID 170939497

IUPAC3,6-ditert-butyl-6-fluoro-3-azabicyclo[3.1.0]hexane
SMILESCC(C)(C)N1CC2C(C1)C2(F)C(C)(C)C
InChIInChI=1S/C13H24FN/c1-11(2,3)13(14)9-7-15(8-10(9)13)12(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyHCXBOTIQAIGRSR-UHFFFAOYSA-N
MW213.34 g/mol
LogP3.10
Rot. Bonds

About 3,6-ditert-butyl-6-fluoro-3-azabicyclo[3.1.0]hexane

3,6-ditert-butyl-6-fluoro-3-azabicyclo[3.1.0]hexane (PubChem CID 170939497) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is 3,6-ditert-butyl-6-fluoro-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3,6-ditert-butyl-6-fluoro-3-azabicyclo[3.1.0]hexane
PubChem CID170939497
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name3,6-ditert-butyl-6-fluoro-3-azabicyclo[3.1.0]hexane
SMILESCC(C)(C)N1CC2C(C1)C2(F)C(C)(C)C
InChIInChI=1S/C13H24FN/c1-11(2,3)13(14)9-7-15(8-10(9)13)12(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyHCXBOTIQAIGRSR-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-6-fluoro-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3,6-ditert-butyl-6-fluoro-3-azabicyclo[3.1.0]hexane (CID 170939497) is 3,6-ditert-butyl-6-fluoro-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3,6-ditert-butyl-6-fluoro-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3,6-ditert-butyl-6-fluoro-3-azabicyclo[3.1.0]hexane is CC(C)(C)N1CC2C(C1)C2(F)C(C)(C)C.
What is the InChIKey of 3,6-ditert-butyl-6-fluoro-3-azabicyclo[3.1.0]hexane?
The InChIKey is HCXBOTIQAIGRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN/c1-11(2,3)13(14)9-7-15(8-10(9)13)12(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 3,6-ditert-butyl-6-fluoro-3-azabicyclo[3.1.0]hexane?
3,6-ditert-butyl-6-fluoro-3-azabicyclo[3.1.0]hexane has a molecular weight of 213.34 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-6-fluoro-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 170939497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).