9,9,18,18-tetrafluoro-6-methyl-15-(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene

C24H12F4S4 — CID 58224229

About 9,9,18,18-tetrafluoro-6-methyl-15-(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene

9,9,18,18-tetrafluoro-6-methyl-15-(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene (PubChem CID 58224229) has the molecular formula C24H12F4S4 and a molecular weight of 504.62 g/mol. Its IUPAC name is 9,9,18,18-tetrafluoro-6-methyl-15-(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene.

Molecular Properties

• Compound Name: 9,9,18,18-tetrafluoro-6-methyl-15-(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene
• PubChem CID: 58224229
• Molecular Formula: C24H12F4S4
• Molecular Weight: 504.62 g/mol
• Exact Mass: 503.98
• IUPAC Name: 9,9,18,18-tetrafluoro-6-methyl-15-(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene
• SMILES: Cc1cc2c(s1)-c1cc3c(cc1C2(F)F)-c1sc(-c2cc4sc(C)cc4s2)cc1C3(F)F
• InChI: InChI=1S/C24H12F4S4/c1-9-3-15-21(30-9)11-5-14-12(6-13(11)23(15,25)26)22-16(24(14,27)28)7-18(32-22)20-8-19-17(31-20)4-10(2)29-19/h3-8H,1-2H3
• InChIKey: JXGQJVDQCPXFDV-UHFFFAOYSA-N
• XLogP: 9.61
• TPSA: 0.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.62
LogP ≤ 5	9.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9,9,18,18-tetrafluoro-6-methyl-15-(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene?

The IUPAC name of 9,9,18,18-tetrafluoro-6-methyl-15-(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene (CID 58224229) is 9,9,18,18-tetrafluoro-6-methyl-15-(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene.

What is the SMILES notation for 9,9,18,18-tetrafluoro-6-methyl-15-(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene?

The canonical SMILES for 9,9,18,18-tetrafluoro-6-methyl-15-(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene is Cc1cc2c(s1)-c1cc3c(cc1C2(F)F)-c1sc(-c2cc4sc(C)cc4s2)cc1C3(F)F.

What is the InChIKey of 9,9,18,18-tetrafluoro-6-methyl-15-(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene?

The InChIKey is JXGQJVDQCPXFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F4S4/c1-9-3-15-21(30-9)11-5-14-12(6-13(11)23(15,25)26)22-16(24(14,27)28)7-18(32-22)20-8-19-17(31-20)4-10(2)29-19/h3-8H,1-2H3.

What are the key properties of 9,9,18,18-tetrafluoro-6-methyl-15-(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene?

9,9,18,18-tetrafluoro-6-methyl-15-(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene has a molecular weight of 504.62 g/mol, XLogP of 9.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9,18,18-tetrafluoro-6-methyl-15-(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene is sourced from PubChem (CID 58224229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).