7,19-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene

C22H10F2OS — CID 135242838

About 7,19-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene

7,19-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene (PubChem CID 135242838) has the molecular formula C22H10F2OS and a molecular weight of 360.38 g/mol. Its IUPAC name is 7,19-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene.

Molecular Properties

• Compound Name: 7,19-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
• PubChem CID: 135242838
• Molecular Formula: C22H10F2OS
• Molecular Weight: 360.38 g/mol
• Exact Mass: 360.04
• IUPAC Name: 7,19-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
• SMILES: Fc1ccc2oc3c(ccc4c3ccc3c5cc(F)ccc5sc34)c2c1
• InChI: InChI=1S/C22H10F2OS/c23-11-1-7-19-17(9-11)14-4-5-15-13(21(14)25-19)3-6-16-18-10-12(24)2-8-20(18)26-22(15)16/h1-10H
• InChIKey: VYFNAQNTNHAXRD-UHFFFAOYSA-N
• XLogP: 7.39
• TPSA: 13.14 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	360.38
LogP ≤ 5	7.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 7,19-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?

The IUPAC name of 7,19-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene (CID 135242838) is 7,19-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene.

What is the SMILES notation for 7,19-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?

The canonical SMILES for 7,19-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene is Fc1ccc2oc3c(ccc4c3ccc3c5cc(F)ccc5sc34)c2c1.

What is the InChIKey of 7,19-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?

The InChIKey is VYFNAQNTNHAXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10F2OS/c23-11-1-7-19-17(9-11)14-4-5-15-13(21(14)25-19)3-6-16-18-10-12(24)2-8-20(18)26-22(15)16/h1-10H.

What are the key properties of 7,19-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?

7,19-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene has a molecular weight of 360.38 g/mol, XLogP of 7.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7,19-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene is sourced from PubChem (CID 135242838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).