9-fluoro-11-oxa-5-thia-3-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene

C17H8FNOS — CID 167210328

IUPAC9-fluoro-11-oxa-5-thia-3-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene
SMILESFc1c2c(nc3sccc13)-c1cccc3cccc(c13)O2
InChIInChI=1S/C17H8FNOS/c18-14-11-7-8-21-17(11)19-15-10-5-1-3-9-4-2-6-12(13(9)10)20-16(14)15/h1-8H
InChIKeyYZPFZHHIJBFRSX-UHFFFAOYSA-N
MW293.32 g/mol
LogP5.36
Rot. Bonds

About 9-fluoro-11-oxa-5-thia-3-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene

9-fluoro-11-oxa-5-thia-3-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene (PubChem CID 167210328) has the molecular formula C17H8FNOS and a molecular weight of 293.32 g/mol. Its IUPAC name is 9-fluoro-11-oxa-5-thia-3-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene.

Molecular Properties

Compound Name9-fluoro-11-oxa-5-thia-3-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene
PubChem CID167210328
Molecular FormulaC17H8FNOS
Molecular Weight293.32 g/mol
Exact Mass293.03
IUPAC Name9-fluoro-11-oxa-5-thia-3-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene
SMILESFc1c2c(nc3sccc13)-c1cccc3cccc(c13)O2
InChIInChI=1S/C17H8FNOS/c18-14-11-7-8-21-17(11)19-15-10-5-1-3-9-4-2-6-12(13(9)10)20-16(14)15/h1-8H
InChIKeyYZPFZHHIJBFRSX-UHFFFAOYSA-N
XLogP5.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.32
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-fluoro-11-oxa-5-thia-3-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-11-oxa-5-thia-3-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene?
The IUPAC name of 9-fluoro-11-oxa-5-thia-3-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene (CID 167210328) is 9-fluoro-11-oxa-5-thia-3-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene.
What is the SMILES notation for 9-fluoro-11-oxa-5-thia-3-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene?
The canonical SMILES for 9-fluoro-11-oxa-5-thia-3-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene is Fc1c2c(nc3sccc13)-c1cccc3cccc(c13)O2.
What is the InChIKey of 9-fluoro-11-oxa-5-thia-3-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene?
The InChIKey is YZPFZHHIJBFRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8FNOS/c18-14-11-7-8-21-17(11)19-15-10-5-1-3-9-4-2-6-12(13(9)10)20-16(14)15/h1-8H.
What are the key properties of 9-fluoro-11-oxa-5-thia-3-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene?
9-fluoro-11-oxa-5-thia-3-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene has a molecular weight of 293.32 g/mol, XLogP of 5.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-11-oxa-5-thia-3-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene is sourced from PubChem (CID 167210328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).