18,18-difluoro-17-oxa-1-azonia-18-boranuidatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15-octaene

C15H10BF2NO — CID 139081110

IUPAC18,18-difluoro-17-oxa-1-azonia-18-boranuidatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15-octaene
SMILESF[B-]1(F)Oc2ccccc2-c2ccc3ccccc3[n+]21
InChIInChI=1S/C15H10BF2NO/c17-16(18)19-13-7-3-1-5-11(13)9-10-14(19)12-6-2-4-8-15(12)20-16/h1-10H
InChIKeyDCRRSJBJOBPKFD-UHFFFAOYSA-N
MW269.06 g/mol
LogP3.41
Rot. Bonds

About 18,18-difluoro-17-oxa-1-azonia-18-boranuidatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15-octaene

18,18-difluoro-17-oxa-1-azonia-18-boranuidatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15-octaene (PubChem CID 139081110) has the molecular formula C15H10BF2NO and a molecular weight of 269.06 g/mol. Its IUPAC name is 18,18-difluoro-17-oxa-1-azonia-18-boranuidatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15-octaene.

Molecular Properties

Compound Name18,18-difluoro-17-oxa-1-azonia-18-boranuidatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15-octaene
PubChem CID139081110
Molecular FormulaC15H10BF2NO
Molecular Weight269.06 g/mol
Exact Mass269.08
IUPAC Name18,18-difluoro-17-oxa-1-azonia-18-boranuidatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15-octaene
SMILESF[B-]1(F)Oc2ccccc2-c2ccc3ccccc3[n+]21
InChIInChI=1S/C15H10BF2NO/c17-16(18)19-13-7-3-1-5-11(13)9-10-14(19)12-6-2-4-8-15(12)20-16/h1-10H
InChIKeyDCRRSJBJOBPKFD-UHFFFAOYSA-N
XLogP3.41
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 18,18-difluoro-17-oxa-1-azonia-18-boranuidatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 18,18-difluoro-17-oxa-1-azonia-18-boranuidatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15-octaene?
The IUPAC name of 18,18-difluoro-17-oxa-1-azonia-18-boranuidatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15-octaene (CID 139081110) is 18,18-difluoro-17-oxa-1-azonia-18-boranuidatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15-octaene.
What is the SMILES notation for 18,18-difluoro-17-oxa-1-azonia-18-boranuidatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15-octaene?
The canonical SMILES for 18,18-difluoro-17-oxa-1-azonia-18-boranuidatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15-octaene is F[B-]1(F)Oc2ccccc2-c2ccc3ccccc3[n+]21.
What is the InChIKey of 18,18-difluoro-17-oxa-1-azonia-18-boranuidatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15-octaene?
The InChIKey is DCRRSJBJOBPKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BF2NO/c17-16(18)19-13-7-3-1-5-11(13)9-10-14(19)12-6-2-4-8-15(12)20-16/h1-10H.
What are the key properties of 18,18-difluoro-17-oxa-1-azonia-18-boranuidatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15-octaene?
18,18-difluoro-17-oxa-1-azonia-18-boranuidatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15-octaene has a molecular weight of 269.06 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18,18-difluoro-17-oxa-1-azonia-18-boranuidatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15-octaene is sourced from PubChem (CID 139081110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).