6-tert-butyl-3,3-difluoro-1-azatricyclo[4.3.0.02,4]nonane

C12H19F2N — CID 176800835

IUPAC6-tert-butyl-3,3-difluoro-1-azatricyclo[4.3.0.02,4]nonane
SMILESCC(C)(C)C12CCCN1C1C(C2)C1(F)F
InChIInChI=1S/C12H19F2N/c1-10(2,3)11-5-4-6-15(11)9-8(7-11)12(9,13)14/h8-9H,4-7H2,1-3H3
InChIKeyGWJPPSJDRJAHQD-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.90
Rot. Bonds

About 6-tert-butyl-3,3-difluoro-1-azatricyclo[4.3.0.02,4]nonane

6-tert-butyl-3,3-difluoro-1-azatricyclo[4.3.0.02,4]nonane (PubChem CID 176800835) has the molecular formula C12H19F2N and a molecular weight of 215.29 g/mol. Its IUPAC name is 6-tert-butyl-3,3-difluoro-1-azatricyclo[4.3.0.02,4]nonane.

Molecular Properties

Compound Name6-tert-butyl-3,3-difluoro-1-azatricyclo[4.3.0.02,4]nonane
PubChem CID176800835
Molecular FormulaC12H19F2N
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name6-tert-butyl-3,3-difluoro-1-azatricyclo[4.3.0.02,4]nonane
SMILESCC(C)(C)C12CCCN1C1C(C2)C1(F)F
InChIInChI=1S/C12H19F2N/c1-10(2,3)11-5-4-6-15(11)9-8(7-11)12(9,13)14/h8-9H,4-7H2,1-3H3
InChIKeyGWJPPSJDRJAHQD-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3,3-difluoro-1-azatricyclo[4.3.0.02,4]nonane?
The IUPAC name of 6-tert-butyl-3,3-difluoro-1-azatricyclo[4.3.0.02,4]nonane (CID 176800835) is 6-tert-butyl-3,3-difluoro-1-azatricyclo[4.3.0.02,4]nonane.
What is the SMILES notation for 6-tert-butyl-3,3-difluoro-1-azatricyclo[4.3.0.02,4]nonane?
The canonical SMILES for 6-tert-butyl-3,3-difluoro-1-azatricyclo[4.3.0.02,4]nonane is CC(C)(C)C12CCCN1C1C(C2)C1(F)F.
What is the InChIKey of 6-tert-butyl-3,3-difluoro-1-azatricyclo[4.3.0.02,4]nonane?
The InChIKey is GWJPPSJDRJAHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N/c1-10(2,3)11-5-4-6-15(11)9-8(7-11)12(9,13)14/h8-9H,4-7H2,1-3H3.
What are the key properties of 6-tert-butyl-3,3-difluoro-1-azatricyclo[4.3.0.02,4]nonane?
6-tert-butyl-3,3-difluoro-1-azatricyclo[4.3.0.02,4]nonane has a molecular weight of 215.29 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3,3-difluoro-1-azatricyclo[4.3.0.02,4]nonane is sourced from PubChem (CID 176800835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).