6,7,15,16-tetrafluoro-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione

C16H8F4O2S2 — CID 123255381

IUPAC6,7,15,16-tetrafluoro-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione
SMILESO=C1c2c(sc(F)c2F)C2CC3C(=O)c4c(sc(F)c4F)C3CC12
InChIInChI=1S/C16H8F4O2S2/c17-9-7-11(21)3-1-5-4(2-6(3)14(7)24-16(9)20)12(22)8-10(18)15(19)23-13(5)8/h3-6H,1-2H2
InChIKeyJOKYLPPPXBAUGU-UHFFFAOYSA-N
MW372.36 g/mol
LogP4.65
Rot. Bonds

About 6,7,15,16-tetrafluoro-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione

6,7,15,16-tetrafluoro-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione (PubChem CID 123255381) has the molecular formula C16H8F4O2S2 and a molecular weight of 372.36 g/mol. Its IUPAC name is 6,7,15,16-tetrafluoro-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione.

Molecular Properties

Compound Name6,7,15,16-tetrafluoro-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione
PubChem CID123255381
Molecular FormulaC16H8F4O2S2
Molecular Weight372.36 g/mol
Exact Mass371.99
IUPAC Name6,7,15,16-tetrafluoro-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione
SMILESO=C1c2c(sc(F)c2F)C2CC3C(=O)c4c(sc(F)c4F)C3CC12
InChIInChI=1S/C16H8F4O2S2/c17-9-7-11(21)3-1-5-4(2-6(3)14(7)24-16(9)20)12(22)8-10(18)15(19)23-13(5)8/h3-6H,1-2H2
InChIKeyJOKYLPPPXBAUGU-UHFFFAOYSA-N
XLogP4.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,7,15,16-tetrafluoro-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7,15,16-tetrafluoro-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione?
The IUPAC name of 6,7,15,16-tetrafluoro-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione (CID 123255381) is 6,7,15,16-tetrafluoro-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione.
What is the SMILES notation for 6,7,15,16-tetrafluoro-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione?
The canonical SMILES for 6,7,15,16-tetrafluoro-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione is O=C1c2c(sc(F)c2F)C2CC3C(=O)c4c(sc(F)c4F)C3CC12.
What is the InChIKey of 6,7,15,16-tetrafluoro-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione?
The InChIKey is JOKYLPPPXBAUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F4O2S2/c17-9-7-11(21)3-1-5-4(2-6(3)14(7)24-16(9)20)12(22)8-10(18)15(19)23-13(5)8/h3-6H,1-2H2.
What are the key properties of 6,7,15,16-tetrafluoro-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione?
6,7,15,16-tetrafluoro-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione has a molecular weight of 372.36 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,15,16-tetrafluoro-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione is sourced from PubChem (CID 123255381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).