7-fluoro-18-methyl-3-oxa-14-thiahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),2(13),4(24),5,7,9,11,15(23),16,18,20-undecaene

C23H13FOS — CID 149146885

About 7-fluoro-18-methyl-3-oxa-14-thiahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),2(13),4(24),5,7,9,11,15(23),16,18,20-undecaene

7-fluoro-18-methyl-3-oxa-14-thiahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),2(13),4(24),5,7,9,11,15(23),16,18,20-undecaene (PubChem CID 149146885) has the molecular formula C23H13FOS and a molecular weight of 356.42 g/mol. Its IUPAC name is 7-fluoro-18-methyl-3-oxa-14-thiahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),2(13),4(24),5,7,9,11,15(23),16,18,20-undecaene.

Molecular Properties

• Compound Name: 7-fluoro-18-methyl-3-oxa-14-thiahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),2(13),4(24),5,7,9,11,15(23),16,18,20-undecaene
• PubChem CID: 149146885
• Molecular Formula: C23H13FOS
• Molecular Weight: 356.42 g/mol
• Exact Mass: 356.07
• IUPAC Name: 7-fluoro-18-methyl-3-oxa-14-thiahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),2(13),4(24),5,7,9,11,15(23),16,18,20-undecaene
• SMILES: Cc1ccc2sc3c4cccc5c(F)ccc(oc=3c3cccc1c23)c54
• InChI: InChI=1S/C23H13FOS/c1-12-8-11-19-21-13(12)4-2-6-15(21)22-23(26-19)16-7-3-5-14-17(24)9-10-18(25-22)20(14)16/h2-11H,1H3
• InChIKey: RKQONGZAIBBAPL-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 13.14 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	356.42
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-18-methyl-3-oxa-14-thiahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),2(13),4(24),5,7,9,11,15(23),16,18,20-undecaene?

The IUPAC name of 7-fluoro-18-methyl-3-oxa-14-thiahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),2(13),4(24),5,7,9,11,15(23),16,18,20-undecaene (CID 149146885) is 7-fluoro-18-methyl-3-oxa-14-thiahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),2(13),4(24),5,7,9,11,15(23),16,18,20-undecaene.

What is the SMILES notation for 7-fluoro-18-methyl-3-oxa-14-thiahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),2(13),4(24),5,7,9,11,15(23),16,18,20-undecaene?

The canonical SMILES for 7-fluoro-18-methyl-3-oxa-14-thiahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),2(13),4(24),5,7,9,11,15(23),16,18,20-undecaene is Cc1ccc2sc3c4cccc5c(F)ccc(oc=3c3cccc1c23)c54.

What is the InChIKey of 7-fluoro-18-methyl-3-oxa-14-thiahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),2(13),4(24),5,7,9,11,15(23),16,18,20-undecaene?

The InChIKey is RKQONGZAIBBAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13FOS/c1-12-8-11-19-21-13(12)4-2-6-15(21)22-23(26-19)16-7-3-5-14-17(24)9-10-18(25-22)20(14)16/h2-11H,1H3.

What are the key properties of 7-fluoro-18-methyl-3-oxa-14-thiahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),2(13),4(24),5,7,9,11,15(23),16,18,20-undecaene?

7-fluoro-18-methyl-3-oxa-14-thiahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),2(13),4(24),5,7,9,11,15(23),16,18,20-undecaene has a molecular weight of 356.42 g/mol, XLogP of 7.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-18-methyl-3-oxa-14-thiahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),2(13),4(24),5,7,9,11,15(23),16,18,20-undecaene is sourced from PubChem (CID 149146885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).