6,7,15,16-tetrafluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione

C18H6F4O2S2 — CID 58224348

IUPAC6,7,15,16-tetrafluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione
SMILESCc1c2c(=O)c3c(F)c(F)sc3c2c(C)c2c(=O)c3c(F)c(F)sc3c12
InChIInChI=1S/C18H6F4O2S2/c1-3-5-8(16-9(13(5)23)11(19)18(22)26-16)4(2)6-7(3)15-10(14(6)24)12(20)17(21)25-15/h1-2H3
InChIKeyGGICUNYFCVXATP-UHFFFAOYSA-N
MW394.37 g/mol
LogP5.19
Rot. Bonds

About 6,7,15,16-tetrafluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione

6,7,15,16-tetrafluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione (PubChem CID 58224348) has the molecular formula C18H6F4O2S2 and a molecular weight of 394.37 g/mol. Its IUPAC name is 6,7,15,16-tetrafluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione.

Molecular Properties

Compound Name6,7,15,16-tetrafluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione
PubChem CID58224348
Molecular FormulaC18H6F4O2S2
Molecular Weight394.37 g/mol
Exact Mass393.97
IUPAC Name6,7,15,16-tetrafluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione
SMILESCc1c2c(=O)c3c(F)c(F)sc3c2c(C)c2c(=O)c3c(F)c(F)sc3c12
InChIInChI=1S/C18H6F4O2S2/c1-3-5-8(16-9(13(5)23)11(19)18(22)26-16)4(2)6-7(3)15-10(14(6)24)12(20)17(21)25-15/h1-2H3
InChIKeyGGICUNYFCVXATP-UHFFFAOYSA-N
XLogP5.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.37
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,7,15,16-tetrafluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7,15,16-tetrafluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione?
The IUPAC name of 6,7,15,16-tetrafluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione (CID 58224348) is 6,7,15,16-tetrafluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione.
What is the SMILES notation for 6,7,15,16-tetrafluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione?
The canonical SMILES for 6,7,15,16-tetrafluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione is Cc1c2c(=O)c3c(F)c(F)sc3c2c(C)c2c(=O)c3c(F)c(F)sc3c12.
What is the InChIKey of 6,7,15,16-tetrafluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione?
The InChIKey is GGICUNYFCVXATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6F4O2S2/c1-3-5-8(16-9(13(5)23)11(19)18(22)26-16)4(2)6-7(3)15-10(14(6)24)12(20)17(21)25-15/h1-2H3.
What are the key properties of 6,7,15,16-tetrafluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione?
6,7,15,16-tetrafluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione has a molecular weight of 394.37 g/mol, XLogP of 5.19, 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-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione is sourced from PubChem (CID 58224348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).