(8-fluoro-9-oxa-7-azonia-8-boranuidatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-yl)-(4-methylphenyl)methanone

C23H17BFNO2 — CID 154710147

IUPAC(8-fluoro-9-oxa-7-azonia-8-boranuidatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)[B-]2(F)Oc3ccc4ccccc4c3-c3cccc[n+]32)cc1
InChIInChI=1S/C23H17BFNO2/c1-16-9-11-18(12-10-16)23(27)24(25)26-15-5-4-8-20(26)22-19-7-3-2-6-17(19)13-14-21(22)28-24/h2-15H,1H3
InChIKeyIIAFLHBEIJIHQK-UHFFFAOYSA-N
MW369.20 g/mol
LogP4.67
Rot. Bonds2

About (8-fluoro-9-oxa-7-azonia-8-boranuidatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-yl)-(4-methylphenyl)methanone

(8-fluoro-9-oxa-7-azonia-8-boranuidatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-yl)-(4-methylphenyl)methanone (PubChem CID 154710147) has the molecular formula C23H17BFNO2 and a molecular weight of 369.20 g/mol. Its IUPAC name is (8-fluoro-9-oxa-7-azonia-8-boranuidatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(8-fluoro-9-oxa-7-azonia-8-boranuidatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-yl)-(4-methylphenyl)methanone
PubChem CID154710147
Molecular FormulaC23H17BFNO2
Molecular Weight369.20 g/mol
Exact Mass369.13
IUPAC Name(8-fluoro-9-oxa-7-azonia-8-boranuidatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)[B-]2(F)Oc3ccc4ccccc4c3-c3cccc[n+]32)cc1
InChIInChI=1S/C23H17BFNO2/c1-16-9-11-18(12-10-16)23(27)24(25)26-15-5-4-8-20(26)22-19-7-3-2-6-17(19)13-14-21(22)28-24/h2-15H,1H3
InChIKeyIIAFLHBEIJIHQK-UHFFFAOYSA-N
XLogP4.67
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (8-fluoro-9-oxa-7-azonia-8-boranuidatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-yl)-(4-methylphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8-fluoro-9-oxa-7-azonia-8-boranuidatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-yl)-(4-methylphenyl)methanone?
The IUPAC name of (8-fluoro-9-oxa-7-azonia-8-boranuidatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-yl)-(4-methylphenyl)methanone (CID 154710147) is (8-fluoro-9-oxa-7-azonia-8-boranuidatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (8-fluoro-9-oxa-7-azonia-8-boranuidatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (8-fluoro-9-oxa-7-azonia-8-boranuidatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)[B-]2(F)Oc3ccc4ccccc4c3-c3cccc[n+]32)cc1.
What is the InChIKey of (8-fluoro-9-oxa-7-azonia-8-boranuidatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-yl)-(4-methylphenyl)methanone?
The InChIKey is IIAFLHBEIJIHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BFNO2/c1-16-9-11-18(12-10-16)23(27)24(25)26-15-5-4-8-20(26)22-19-7-3-2-6-17(19)13-14-21(22)28-24/h2-15H,1H3.
What are the key properties of (8-fluoro-9-oxa-7-azonia-8-boranuidatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-yl)-(4-methylphenyl)methanone?
(8-fluoro-9-oxa-7-azonia-8-boranuidatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-yl)-(4-methylphenyl)methanone has a molecular weight of 369.20 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-9-oxa-7-azonia-8-boranuidatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 154710147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).