17-fluoro-10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(15),3,5,7,16,18-hexaene

C16H16FNOS — CID 143753149

IUPAC17-fluoro-10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(15),3,5,7,16,18-hexaene
SMILESFc1ccc2c(c1)CNCCOCc1ccccc1S2
InChIInChI=1S/C16H16FNOS/c17-14-5-6-16-13(9-14)10-18-7-8-19-11-12-3-1-2-4-15(12)20-16/h1-6,9,18H,7-8,10-11H2
InChIKeyKIXYWGUUPLLXFE-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.60
Rot. Bonds

About 17-fluoro-10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(15),3,5,7,16,18-hexaene

17-fluoro-10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(15),3,5,7,16,18-hexaene (PubChem CID 143753149) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is 17-fluoro-10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(15),3,5,7,16,18-hexaene.

Molecular Properties

Compound Name17-fluoro-10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(15),3,5,7,16,18-hexaene
PubChem CID143753149
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name17-fluoro-10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(15),3,5,7,16,18-hexaene
SMILESFc1ccc2c(c1)CNCCOCc1ccccc1S2
InChIInChI=1S/C16H16FNOS/c17-14-5-6-16-13(9-14)10-18-7-8-19-11-12-3-1-2-4-15(12)20-16/h1-6,9,18H,7-8,10-11H2
InChIKeyKIXYWGUUPLLXFE-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 17-fluoro-10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(15),3,5,7,16,18-hexaene?
The IUPAC name of 17-fluoro-10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(15),3,5,7,16,18-hexaene (CID 143753149) is 17-fluoro-10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(15),3,5,7,16,18-hexaene.
What is the SMILES notation for 17-fluoro-10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(15),3,5,7,16,18-hexaene?
The canonical SMILES for 17-fluoro-10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(15),3,5,7,16,18-hexaene is Fc1ccc2c(c1)CNCCOCc1ccccc1S2.
What is the InChIKey of 17-fluoro-10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(15),3,5,7,16,18-hexaene?
The InChIKey is KIXYWGUUPLLXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c17-14-5-6-16-13(9-14)10-18-7-8-19-11-12-3-1-2-4-15(12)20-16/h1-6,9,18H,7-8,10-11H2.
What are the key properties of 17-fluoro-10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(15),3,5,7,16,18-hexaene?
17-fluoro-10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(15),3,5,7,16,18-hexaene has a molecular weight of 289.38 g/mol, XLogP of 3.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-fluoro-10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(15),3,5,7,16,18-hexaene is sourced from PubChem (CID 143753149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).