3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane

C10H18FN — CID 121308231

IUPAC3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane
SMILESCC1(F)C2CN(C(C)(C)C)CC21
InChIInChI=1S/C10H18FN/c1-9(2,3)12-5-7-8(6-12)10(7,4)11/h7-8H,5-6H2,1-4H3
InChIKeyFEJJJGHTLICBLH-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.07
Rot. Bonds

About 3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane

3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane (PubChem CID 121308231) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane
PubChem CID121308231
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane
SMILESCC1(F)C2CN(C(C)(C)C)CC21
InChIInChI=1S/C10H18FN/c1-9(2,3)12-5-7-8(6-12)10(7,4)11/h7-8H,5-6H2,1-4H3
InChIKeyFEJJJGHTLICBLH-UHFFFAOYSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane (CID 121308231) is 3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane is CC1(F)C2CN(C(C)(C)C)CC21.
What is the InChIKey of 3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is FEJJJGHTLICBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-9(2,3)12-5-7-8(6-12)10(7,4)11/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane?
3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 171.26 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 121308231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).