9-fluoro-4-methyl-13-oxa-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene

C16H10FNOS — CID 10062363

IUPAC9-fluoro-4-methyl-13-oxa-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene
SMILESCc1nc2c(s1)-c1ccccc1Oc1ccc(F)cc1-2
InChIInChI=1S/C16H10FNOS/c1-9-18-15-12-8-10(17)6-7-14(12)19-13-5-3-2-4-11(13)16(15)20-9/h2-8H,1H3
InChIKeyWQTCKGFCFBQLEL-UHFFFAOYSA-N
MW283.33 g/mol
LogP5.03
Rot. Bonds

About 9-fluoro-4-methyl-13-oxa-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene

9-fluoro-4-methyl-13-oxa-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene (PubChem CID 10062363) has the molecular formula C16H10FNOS and a molecular weight of 283.33 g/mol. Its IUPAC name is 9-fluoro-4-methyl-13-oxa-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene.

Molecular Properties

Compound Name9-fluoro-4-methyl-13-oxa-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene
PubChem CID10062363
Molecular FormulaC16H10FNOS
Molecular Weight283.33 g/mol
Exact Mass283.05
IUPAC Name9-fluoro-4-methyl-13-oxa-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene
SMILESCc1nc2c(s1)-c1ccccc1Oc1ccc(F)cc1-2
InChIInChI=1S/C16H10FNOS/c1-9-18-15-12-8-10(17)6-7-14(12)19-13-5-3-2-4-11(13)16(15)20-9/h2-8H,1H3
InChIKeyWQTCKGFCFBQLEL-UHFFFAOYSA-N
XLogP5.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.33
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-fluoro-4-methyl-13-oxa-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-4-methyl-13-oxa-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene?
The IUPAC name of 9-fluoro-4-methyl-13-oxa-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene (CID 10062363) is 9-fluoro-4-methyl-13-oxa-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene.
What is the SMILES notation for 9-fluoro-4-methyl-13-oxa-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene?
The canonical SMILES for 9-fluoro-4-methyl-13-oxa-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene is Cc1nc2c(s1)-c1ccccc1Oc1ccc(F)cc1-2.
What is the InChIKey of 9-fluoro-4-methyl-13-oxa-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene?
The InChIKey is WQTCKGFCFBQLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNOS/c1-9-18-15-12-8-10(17)6-7-14(12)19-13-5-3-2-4-11(13)16(15)20-9/h2-8H,1H3.
What are the key properties of 9-fluoro-4-methyl-13-oxa-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene?
9-fluoro-4-methyl-13-oxa-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene has a molecular weight of 283.33 g/mol, XLogP of 5.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-4-methyl-13-oxa-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene is sourced from PubChem (CID 10062363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).