7,8-difluoro-3,10-dimethyl-2-azabicyclo[4.4.1]undeca-1(10),2,6(11),7-tetraene

C12H13F2N — CID 90809487

IUPAC7,8-difluoro-3,10-dimethyl-2-azabicyclo[4.4.1]undeca-1(10),2,6(11),7-tetraene
SMILESCC1=NC2=C(C)CC(F)=C(F)C(=C2)CC1
InChIInChI=1S/C12H13F2N/c1-7-5-10(13)12(14)9-4-3-8(2)15-11(7)6-9/h6H,3-5H2,1-2H3
InChIKeyUZOJSGRGAHJTEH-UHFFFAOYSA-N
MW209.24 g/mol
LogP4.00
Rot. Bonds

About 7,8-difluoro-3,10-dimethyl-2-azabicyclo[4.4.1]undeca-1(10),2,6(11),7-tetraene

7,8-difluoro-3,10-dimethyl-2-azabicyclo[4.4.1]undeca-1(10),2,6(11),7-tetraene (PubChem CID 90809487) has the molecular formula C12H13F2N and a molecular weight of 209.24 g/mol. Its IUPAC name is 7,8-difluoro-3,10-dimethyl-2-azabicyclo[4.4.1]undeca-1(10),2,6(11),7-tetraene.

Molecular Properties

Compound Name7,8-difluoro-3,10-dimethyl-2-azabicyclo[4.4.1]undeca-1(10),2,6(11),7-tetraene
PubChem CID90809487
Molecular FormulaC12H13F2N
Molecular Weight209.24 g/mol
Exact Mass209.10
IUPAC Name7,8-difluoro-3,10-dimethyl-2-azabicyclo[4.4.1]undeca-1(10),2,6(11),7-tetraene
SMILESCC1=NC2=C(C)CC(F)=C(F)C(=C2)CC1
InChIInChI=1S/C12H13F2N/c1-7-5-10(13)12(14)9-4-3-8(2)15-11(7)6-9/h6H,3-5H2,1-2H3
InChIKeyUZOJSGRGAHJTEH-UHFFFAOYSA-N
XLogP4.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-3,10-dimethyl-2-azabicyclo[4.4.1]undeca-1(10),2,6(11),7-tetraene?
The IUPAC name of 7,8-difluoro-3,10-dimethyl-2-azabicyclo[4.4.1]undeca-1(10),2,6(11),7-tetraene (CID 90809487) is 7,8-difluoro-3,10-dimethyl-2-azabicyclo[4.4.1]undeca-1(10),2,6(11),7-tetraene.
What is the SMILES notation for 7,8-difluoro-3,10-dimethyl-2-azabicyclo[4.4.1]undeca-1(10),2,6(11),7-tetraene?
The canonical SMILES for 7,8-difluoro-3,10-dimethyl-2-azabicyclo[4.4.1]undeca-1(10),2,6(11),7-tetraene is CC1=NC2=C(C)CC(F)=C(F)C(=C2)CC1.
What is the InChIKey of 7,8-difluoro-3,10-dimethyl-2-azabicyclo[4.4.1]undeca-1(10),2,6(11),7-tetraene?
The InChIKey is UZOJSGRGAHJTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N/c1-7-5-10(13)12(14)9-4-3-8(2)15-11(7)6-9/h6H,3-5H2,1-2H3.
What are the key properties of 7,8-difluoro-3,10-dimethyl-2-azabicyclo[4.4.1]undeca-1(10),2,6(11),7-tetraene?
7,8-difluoro-3,10-dimethyl-2-azabicyclo[4.4.1]undeca-1(10),2,6(11),7-tetraene has a molecular weight of 209.24 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-3,10-dimethyl-2-azabicyclo[4.4.1]undeca-1(10),2,6(11),7-tetraene is sourced from PubChem (CID 90809487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).