14,14-difluoro-6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene

C11H16F2N3+ — CID 58070784

IUPAC14,14-difluoro-6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene
SMILESFC1(F)CCCCCc2nn3[n+](c21)CCC3
InChIInChI=1S/C11H16F2N3/c12-11(13)6-3-1-2-5-9-10(11)15-7-4-8-16(15)14-9/h1-8H2/q+1
InChIKeyWWTWVKAGOQPJAW-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.78
Rot. Bonds

About 14,14-difluoro-6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene

14,14-difluoro-6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene (PubChem CID 58070784) has the molecular formula C11H16F2N3+ and a molecular weight of 228.27 g/mol. Its IUPAC name is 14,14-difluoro-6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene.

Molecular Properties

Compound Name14,14-difluoro-6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene
PubChem CID58070784
Molecular FormulaC11H16F2N3+
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name14,14-difluoro-6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene
SMILESFC1(F)CCCCCc2nn3[n+](c21)CCC3
InChIInChI=1S/C11H16F2N3/c12-11(13)6-3-1-2-5-9-10(11)15-7-4-8-16(15)14-9/h1-8H2/q+1
InChIKeyWWTWVKAGOQPJAW-UHFFFAOYSA-N
XLogP1.78
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 14,14-difluoro-6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene?
The IUPAC name of 14,14-difluoro-6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene (CID 58070784) is 14,14-difluoro-6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene.
What is the SMILES notation for 14,14-difluoro-6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene?
The canonical SMILES for 14,14-difluoro-6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene is FC1(F)CCCCCc2nn3[n+](c21)CCC3.
What is the InChIKey of 14,14-difluoro-6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene?
The InChIKey is WWTWVKAGOQPJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N3/c12-11(13)6-3-1-2-5-9-10(11)15-7-4-8-16(15)14-9/h1-8H2/q+1.
What are the key properties of 14,14-difluoro-6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene?
14,14-difluoro-6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene has a molecular weight of 228.27 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-difluoro-6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene is sourced from PubChem (CID 58070784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).