11',13'-difluoro-2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene]

C24H17BF2N2 — CID 139172657

About 11',13'-difluoro-2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene]

11',13'-difluoro-2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene] (PubChem CID 139172657) has the molecular formula C24H17BF2N2 and a molecular weight of 382.22 g/mol. Its IUPAC name is 11',13'-difluoro-2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene].

Molecular Properties

• Compound Name: 11',13'-difluoro-2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene]
• PubChem CID: 139172657
• Molecular Formula: C24H17BF2N2
• Molecular Weight: 382.22 g/mol
• Exact Mass: 382.15
• IUPAC Name: 11',13'-difluoro-2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene]
• SMILES: CN1c2ccccc2[B-]2(c3ccccc31)c1cc(F)cc(F)c1-c1cccc[n+]12
• InChI: InChI=1S/C24H17BF2N2/c1-28-21-10-4-2-8-17(21)25(18-9-3-5-11-22(18)28)19-14-16(26)15-20(27)24(19)23-12-6-7-13-29(23)25/h2-15H,1H3
• InChIKey: QTOZHIVTTPJEGO-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 7.12 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.22
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11',13'-difluoro-2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene]?

The IUPAC name of 11',13'-difluoro-2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene] (CID 139172657) is 11',13'-difluoro-2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene].

What is the SMILES notation for 11',13'-difluoro-2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene]?

The canonical SMILES for 11',13'-difluoro-2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene] is CN1c2ccccc2[B-]2(c3ccccc31)c1cc(F)cc(F)c1-c1cccc[n+]12.

What is the InChIKey of 11',13'-difluoro-2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene]?

The InChIKey is QTOZHIVTTPJEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BF2N2/c1-28-21-10-4-2-8-17(21)25(18-9-3-5-11-22(18)28)19-14-16(26)15-20(27)24(19)23-12-6-7-13-29(23)25/h2-15H,1H3.

What are the key properties of 11',13'-difluoro-2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene]?

11',13'-difluoro-2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene] has a molecular weight of 382.22 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 11',13'-difluoro-2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene] is sourced from PubChem (CID 139172657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).