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

C19H15BFNO2 — CID 140767783

IUPAC[(8R)-8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)[B@-]2(F)Oc3ccccc3-c3cccc[n+]32)cc1
InChIInChI=1S/C19H15BFNO2/c1-14-9-11-15(12-10-14)19(23)20(21)22-13-5-4-7-17(22)16-6-2-3-8-18(16)24-20/h2-13H,1H3/t20-/m1/s1
InChIKeyCVYDAMMNASJATO-HXUWFJFHSA-N
MW319.14 g/mol
LogP3.52
Rot. Bonds2

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

[(8R)-8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl]-(4-methylphenyl)methanone (PubChem CID 140767783) has the molecular formula C19H15BFNO2 and a molecular weight of 319.14 g/mol. Its IUPAC name is [(8R)-8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[(8R)-8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl]-(4-methylphenyl)methanone
PubChem CID140767783
Molecular FormulaC19H15BFNO2
Molecular Weight319.14 g/mol
Exact Mass319.12
IUPAC Name[(8R)-8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)[B@-]2(F)Oc3ccccc3-c3cccc[n+]32)cc1
InChIInChI=1S/C19H15BFNO2/c1-14-9-11-15(12-10-14)19(23)20(21)22-13-5-4-7-17(22)16-6-2-3-8-18(16)24-20/h2-13H,1H3/t20-/m1/s1
InChIKeyCVYDAMMNASJATO-HXUWFJFHSA-N
XLogP3.52
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(8R)-8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl]-(4-methylphenyl)methanone?
The IUPAC name of [(8R)-8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl]-(4-methylphenyl)methanone (CID 140767783) is [(8R)-8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [(8R)-8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [(8R)-8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)[B@-]2(F)Oc3ccccc3-c3cccc[n+]32)cc1.
What is the InChIKey of [(8R)-8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl]-(4-methylphenyl)methanone?
The InChIKey is CVYDAMMNASJATO-HXUWFJFHSA-N. The full InChI is InChI=1S/C19H15BFNO2/c1-14-9-11-15(12-10-14)19(23)20(21)22-13-5-4-7-17(22)16-6-2-3-8-18(16)24-20/h2-13H,1H3/t20-/m1/s1.
What are the key properties of [(8R)-8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl]-(4-methylphenyl)methanone?
[(8R)-8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl]-(4-methylphenyl)methanone has a molecular weight of 319.14 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-8-fluoro-9-oxa-7-azonia-8-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaen-8-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 140767783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).