1-(8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl)-2,2-dimethylpropan-1-one

C16H17BFNO2 — CID 162488211

IUPAC1-(8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)[B-]1(F)Oc2ccccc2-c2cccc[n+]21
InChIInChI=1S/C16H17BFNO2/c1-16(2,3)15(20)17(18)19-11-7-6-9-13(19)12-8-4-5-10-14(12)21-17/h4-11H,1-3H3
InChIKeyLXNCOWQTFQUTLR-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.94
Rot. Bonds1

About 1-(8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl)-2,2-dimethylpropan-1-one

1-(8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl)-2,2-dimethylpropan-1-one (PubChem CID 162488211) has the molecular formula C16H17BFNO2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 1-(8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl)-2,2-dimethylpropan-1-one
PubChem CID162488211
Molecular FormulaC16H17BFNO2
Molecular Weight285.13 g/mol
Exact Mass285.13
IUPAC Name1-(8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)[B-]1(F)Oc2ccccc2-c2cccc[n+]21
InChIInChI=1S/C16H17BFNO2/c1-16(2,3)15(20)17(18)19-11-7-6-9-13(19)12-8-4-5-10-14(12)21-17/h4-11H,1-3H3
InChIKeyLXNCOWQTFQUTLR-UHFFFAOYSA-N
XLogP2.94
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl)-2,2-dimethylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl)-2,2-dimethylpropan-1-one (CID 162488211) is 1-(8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)[B-]1(F)Oc2ccccc2-c2cccc[n+]21.
What is the InChIKey of 1-(8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl)-2,2-dimethylpropan-1-one?
The InChIKey is LXNCOWQTFQUTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BFNO2/c1-16(2,3)15(20)17(18)19-11-7-6-9-13(19)12-8-4-5-10-14(12)21-17/h4-11H,1-3H3.
What are the key properties of 1-(8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl)-2,2-dimethylpropan-1-one?
1-(8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl)-2,2-dimethylpropan-1-one has a molecular weight of 285.13 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 162488211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).