6,7-difluoro-2,11,15,16-tetramethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene

C20H16F2S2 — CID 163932382

IUPAC6,7-difluoro-2,11,15,16-tetramethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene
SMILESCc1sc2c(c1C)Cc1c(C)c3c(c(C)c1-2)Cc1c-3sc(F)c1F
InChIInChI=1S/C20H16F2S2/c1-7-10(4)23-18-13(7)5-11-8(2)16-12(9(3)15(11)18)6-14-17(21)20(22)24-19(14)16/h5-6H2,1-4H3
InChIKeyRJUCEQNLECNBPI-UHFFFAOYSA-N
MW358.48 g/mol
LogP6.46
Rot. Bonds

About 6,7-difluoro-2,11,15,16-tetramethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene

6,7-difluoro-2,11,15,16-tetramethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene (PubChem CID 163932382) has the molecular formula C20H16F2S2 and a molecular weight of 358.48 g/mol. Its IUPAC name is 6,7-difluoro-2,11,15,16-tetramethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene.

Molecular Properties

Compound Name6,7-difluoro-2,11,15,16-tetramethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene
PubChem CID163932382
Molecular FormulaC20H16F2S2
Molecular Weight358.48 g/mol
Exact Mass358.07
IUPAC Name6,7-difluoro-2,11,15,16-tetramethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene
SMILESCc1sc2c(c1C)Cc1c(C)c3c(c(C)c1-2)Cc1c-3sc(F)c1F
InChIInChI=1S/C20H16F2S2/c1-7-10(4)23-18-13(7)5-11-8(2)16-12(9(3)15(11)18)6-14-17(21)20(22)24-19(14)16/h5-6H2,1-4H3
InChIKeyRJUCEQNLECNBPI-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,7-difluoro-2,11,15,16-tetramethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-2,11,15,16-tetramethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene?
The IUPAC name of 6,7-difluoro-2,11,15,16-tetramethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene (CID 163932382) is 6,7-difluoro-2,11,15,16-tetramethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene.
What is the SMILES notation for 6,7-difluoro-2,11,15,16-tetramethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene?
The canonical SMILES for 6,7-difluoro-2,11,15,16-tetramethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene is Cc1sc2c(c1C)Cc1c(C)c3c(c(C)c1-2)Cc1c-3sc(F)c1F.
What is the InChIKey of 6,7-difluoro-2,11,15,16-tetramethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene?
The InChIKey is RJUCEQNLECNBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2S2/c1-7-10(4)23-18-13(7)5-11-8(2)16-12(9(3)15(11)18)6-14-17(21)20(22)24-19(14)16/h5-6H2,1-4H3.
What are the key properties of 6,7-difluoro-2,11,15,16-tetramethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene?
6,7-difluoro-2,11,15,16-tetramethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene has a molecular weight of 358.48 g/mol, XLogP of 6.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-2,11,15,16-tetramethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene is sourced from PubChem (CID 163932382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).