2-tert-butyl-6-fluoro-6-methyl-2-azabicyclo[2.2.1]heptane

C11H20FN — CID 157087573

IUPAC2-tert-butyl-6-fluoro-6-methyl-2-azabicyclo[2.2.1]heptane
SMILESCC1(F)CC2CC1N(C(C)(C)C)C2
InChIInChI=1S/C11H20FN/c1-10(2,3)13-7-8-5-9(13)11(4,12)6-8/h8-9H,5-7H2,1-4H3
InChIKeyXESPJVAQMYDMDD-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.61
Rot. Bonds

About 2-tert-butyl-6-fluoro-6-methyl-2-azabicyclo[2.2.1]heptane

2-tert-butyl-6-fluoro-6-methyl-2-azabicyclo[2.2.1]heptane (PubChem CID 157087573) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-tert-butyl-6-fluoro-6-methyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-tert-butyl-6-fluoro-6-methyl-2-azabicyclo[2.2.1]heptane
PubChem CID157087573
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name2-tert-butyl-6-fluoro-6-methyl-2-azabicyclo[2.2.1]heptane
SMILESCC1(F)CC2CC1N(C(C)(C)C)C2
InChIInChI=1S/C11H20FN/c1-10(2,3)13-7-8-5-9(13)11(4,12)6-8/h8-9H,5-7H2,1-4H3
InChIKeyXESPJVAQMYDMDD-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-fluoro-6-methyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-tert-butyl-6-fluoro-6-methyl-2-azabicyclo[2.2.1]heptane (CID 157087573) is 2-tert-butyl-6-fluoro-6-methyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-tert-butyl-6-fluoro-6-methyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-tert-butyl-6-fluoro-6-methyl-2-azabicyclo[2.2.1]heptane is CC1(F)CC2CC1N(C(C)(C)C)C2.
What is the InChIKey of 2-tert-butyl-6-fluoro-6-methyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is XESPJVAQMYDMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-10(2,3)13-7-8-5-9(13)11(4,12)6-8/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-tert-butyl-6-fluoro-6-methyl-2-azabicyclo[2.2.1]heptane?
2-tert-butyl-6-fluoro-6-methyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 185.29 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-fluoro-6-methyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 157087573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).