5,6-difluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

C10H10F2N2 — CID 168862423

IUPAC5,6-difluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESFc1ncc2c(c1F)CC1CCC2N1
InChIInChI=1S/C10H10F2N2/c11-9-6-3-5-1-2-8(14-5)7(6)4-13-10(9)12/h4-5,8,14H,1-3H2
InChIKeyKNTUNEXXOPIKCB-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.71
Rot. Bonds

About 5,6-difluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

5,6-difluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (PubChem CID 168862423) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 5,6-difluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name5,6-difluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
PubChem CID168862423
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC Name5,6-difluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESFc1ncc2c(c1F)CC1CCC2N1
InChIInChI=1S/C10H10F2N2/c11-9-6-3-5-1-2-8(14-5)7(6)4-13-10(9)12/h4-5,8,14H,1-3H2
InChIKeyKNTUNEXXOPIKCB-UHFFFAOYSA-N
XLogP1.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The IUPAC name of 5,6-difluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (CID 168862423) is 5,6-difluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for 5,6-difluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The canonical SMILES for 5,6-difluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is Fc1ncc2c(c1F)CC1CCC2N1.
What is the InChIKey of 5,6-difluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The InChIKey is KNTUNEXXOPIKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2/c11-9-6-3-5-1-2-8(14-5)7(6)4-13-10(9)12/h4-5,8,14H,1-3H2.
What are the key properties of 5,6-difluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
5,6-difluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene has a molecular weight of 196.20 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 168862423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).