7-fluoro-20-oxa-12-thia-1-azoniapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18-nonaene

C18H11FNOS+ — CID 58038513

IUPAC7-fluoro-20-oxa-12-thia-1-azoniapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18-nonaene
SMILESFc1ccc2c(ccc3c2sc2[n+]3COc3ccccc3-2)c1
InChIInChI=1S/C18H11FNOS/c19-12-6-7-13-11(9-12)5-8-15-17(13)22-18-14-3-1-2-4-16(14)21-10-20(15)18/h1-9H,10H2/q+1
InChIKeyXASMLBZZODYLCN-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.50
Rot. Bonds

About 7-fluoro-20-oxa-12-thia-1-azoniapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18-nonaene

7-fluoro-20-oxa-12-thia-1-azoniapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18-nonaene (PubChem CID 58038513) has the molecular formula C18H11FNOS+ and a molecular weight of 308.36 g/mol. Its IUPAC name is 7-fluoro-20-oxa-12-thia-1-azoniapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18-nonaene.

Molecular Properties

Compound Name7-fluoro-20-oxa-12-thia-1-azoniapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18-nonaene
PubChem CID58038513
Molecular FormulaC18H11FNOS+
Molecular Weight308.36 g/mol
Exact Mass308.05
IUPAC Name7-fluoro-20-oxa-12-thia-1-azoniapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18-nonaene
SMILESFc1ccc2c(ccc3c2sc2[n+]3COc3ccccc3-2)c1
InChIInChI=1S/C18H11FNOS/c19-12-6-7-13-11(9-12)5-8-15-17(13)22-18-14-3-1-2-4-16(14)21-10-20(15)18/h1-9H,10H2/q+1
InChIKeyXASMLBZZODYLCN-UHFFFAOYSA-N
XLogP4.50
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 7-fluoro-20-oxa-12-thia-1-azoniapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-[2-(2-methyl-benzothiazol-6-yl)-ethyl]-amine
CID 10500014
(2Z)-3-ethyl-2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazole iodide
CID 126476246
Naphtho-thiazolylanisole
CID 129655561
2-(2-Methoxy-6-methylphenyl)-6-methyl-1,3-benzothiazole
CID 132508292
2-[2-[2-(Difluoromethoxy)phenyl]ethenyl]benzo[e][1,3]benzothiazole
CID 4442369
2-[2-[2-(Difluoromethoxy)phenyl]ethenyl]-5,6-dimethyl-1,3-benzothiazole
CID 5018297
2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]benzo[e][1,3]benzothiazole
CID 6111597
2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]-5,6-dimethyl-1,3-benzothiazole
CID 6249017
2-[1-[(5-Fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzothiazole
CID 9337283
2-[(3S)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-1,3-benzothiazole
CID 9388597
2-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-1,3-benzothiazole
CID 9388599
2-(7-Fluorobenzo[g][1,3]benzothiazol-2-yl)phenol
CID 136200597

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-20-oxa-12-thia-1-azoniapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18-nonaene?
The IUPAC name of 7-fluoro-20-oxa-12-thia-1-azoniapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18-nonaene (CID 58038513) is 7-fluoro-20-oxa-12-thia-1-azoniapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18-nonaene.
What is the SMILES notation for 7-fluoro-20-oxa-12-thia-1-azoniapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18-nonaene?
The canonical SMILES for 7-fluoro-20-oxa-12-thia-1-azoniapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18-nonaene is Fc1ccc2c(ccc3c2sc2[n+]3COc3ccccc3-2)c1.
What is the InChIKey of 7-fluoro-20-oxa-12-thia-1-azoniapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18-nonaene?
The InChIKey is XASMLBZZODYLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FNOS/c19-12-6-7-13-11(9-12)5-8-15-17(13)22-18-14-3-1-2-4-16(14)21-10-20(15)18/h1-9H,10H2/q+1.
What are the key properties of 7-fluoro-20-oxa-12-thia-1-azoniapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18-nonaene?
7-fluoro-20-oxa-12-thia-1-azoniapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18-nonaene has a molecular weight of 308.36 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-20-oxa-12-thia-1-azoniapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18-nonaene is sourced from PubChem (CID 58038513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).