4,5-difluoro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene

C11H11F2N — CID 10130346

IUPAC4,5-difluoro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
SMILESFc1cc2c(cc1F)C1CNCC2C1
InChIInChI=1S/C11H11F2N/c12-10-2-8-6-1-7(5-14-4-6)9(8)3-11(10)13/h2-3,6-7,14H,1,4-5H2
InChIKeyKMIROODCYQMZLK-UHFFFAOYSA-N
MW195.21 g/mol
LogP2.14
Rot. Bonds

About 4,5-difluoro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene

4,5-difluoro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene (PubChem CID 10130346) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is 4,5-difluoro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name4,5-difluoro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
PubChem CID10130346
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name4,5-difluoro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
SMILESFc1cc2c(cc1F)C1CNCC2C1
InChIInChI=1S/C11H11F2N/c12-10-2-8-6-1-7(5-14-4-6)9(8)3-11(10)13/h2-3,6-7,14H,1,4-5H2
InChIKeyKMIROODCYQMZLK-UHFFFAOYSA-N
XLogP2.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
The IUPAC name of 4,5-difluoro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene (CID 10130346) is 4,5-difluoro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for 4,5-difluoro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
The canonical SMILES for 4,5-difluoro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene is Fc1cc2c(cc1F)C1CNCC2C1.
What is the InChIKey of 4,5-difluoro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
The InChIKey is KMIROODCYQMZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c12-10-2-8-6-1-7(5-14-4-6)9(8)3-11(10)13/h2-3,6-7,14H,1,4-5H2.
What are the key properties of 4,5-difluoro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
4,5-difluoro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene has a molecular weight of 195.21 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 10130346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).