9,9,18,18-tetrafluoro-2,6,11-trimethyl-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

C26H16F4S4 — CID 58224220

IUPAC9,9,18,18-tetrafluoro-2,6,11-trimethyl-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
SMILESCc1cc2c(s1)-c1c(C)c3c(c(C)c1C2(F)F)-c1sc(-c2cc4sc(C)cc4s2)cc1C3(F)F
InChIInChI=1S/C26H16F4S4/c1-9-5-13-23(32-9)19-11(3)22-20(12(4)21(19)25(13,27)28)24-14(26(22,29)30)7-16(34-24)18-8-17-15(33-18)6-10(2)31-17/h5-8H,1-4H3
InChIKeyWFSGGBUIBLQFIP-UHFFFAOYSA-N
MW532.67 g/mol
LogP10.23
Rot. Bonds1

About 9,9,18,18-tetrafluoro-2,6,11-trimethyl-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-2,6,11-trimethyl-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 58224220) has the molecular formula C26H16F4S4 and a molecular weight of 532.67 g/mol. Its IUPAC name is 9,9,18,18-tetrafluoro-2,6,11-trimethyl-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 Name9,9,18,18-tetrafluoro-2,6,11-trimethyl-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 CID58224220
Molecular FormulaC26H16F4S4
Molecular Weight532.67 g/mol
Exact Mass532.01
IUPAC Name9,9,18,18-tetrafluoro-2,6,11-trimethyl-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
SMILESCc1cc2c(s1)-c1c(C)c3c(c(C)c1C2(F)F)-c1sc(-c2cc4sc(C)cc4s2)cc1C3(F)F
InChIInChI=1S/C26H16F4S4/c1-9-5-13-23(32-9)19-11(3)22-20(12(4)21(19)25(13,27)28)24-14(26(22,29)30)7-16(34-24)18-8-17-15(33-18)6-10(2)31-17/h5-8H,1-4H3
InChIKeyWFSGGBUIBLQFIP-UHFFFAOYSA-N
XLogP10.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.67
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9,9,18,18-tetrafluoro-2,6,11-trimethyl-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,9,18,18-tetrafluoro-2,6,11-trimethyl-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-2,6,11-trimethyl-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 58224220) is 9,9,18,18-tetrafluoro-2,6,11-trimethyl-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-2,6,11-trimethyl-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-2,6,11-trimethyl-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)-c1c(C)c3c(c(C)c1C2(F)F)-c1sc(-c2cc4sc(C)cc4s2)cc1C3(F)F.
What is the InChIKey of 9,9,18,18-tetrafluoro-2,6,11-trimethyl-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 WFSGGBUIBLQFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F4S4/c1-9-5-13-23(32-9)19-11(3)22-20(12(4)21(19)25(13,27)28)24-14(26(22,29)30)7-16(34-24)18-8-17-15(33-18)6-10(2)31-17/h5-8H,1-4H3.
What are the key properties of 9,9,18,18-tetrafluoro-2,6,11-trimethyl-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-2,6,11-trimethyl-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 532.67 g/mol, XLogP of 10.23, 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-2,6,11-trimethyl-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 58224220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).