6,7,15,16-tetrafluoro-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

C16H2F4O2S2 — CID 58224269

IUPAC6,7,15,16-tetrafluoro-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
SMILESO=c1c2cc3c(cc2c2sc(F)c(F)c12)c(=O)c1c(F)c(F)sc13
InChIInChI=1S/C16H2F4O2S2/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/h1-2H
InChIKeyUBMDBNBHYAKQBU-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.57
Rot. Bonds

About 6,7,15,16-tetrafluoro-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-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 58224269) has the molecular formula C16H2F4O2S2 and a molecular weight of 366.32 g/mol. Its IUPAC name is 6,7,15,16-tetrafluoro-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-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 CID58224269
Molecular FormulaC16H2F4O2S2
Molecular Weight366.32 g/mol
Exact Mass365.94
IUPAC Name6,7,15,16-tetrafluoro-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
SMILESO=c1c2cc3c(cc2c2sc(F)c(F)c12)c(=O)c1c(F)c(F)sc13
InChIInChI=1S/C16H2F4O2S2/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/h1-2H
InChIKeyUBMDBNBHYAKQBU-UHFFFAOYSA-N
XLogP4.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.57
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-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione with MolForge

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Related Compounds

6,15-Dihexyl-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 58224260
11,22-Dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3,5,7,13(21),14,16,18-nonaene-9,20-dione
CID 117845056
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
6,15-Difluoro-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 58224370
6,15-Difluoro-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 58224410
8,20-Difluoro-7,19-dihexyl-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaene-12,24-dione
CID 90394612
6,17-Difluoro-10,21-dimethyl-7,18-dithiahexacyclo[10.10.0.02,9.04,8.013,20.015,19]docosa-1(12),2(9),4(8),5,10,13(20),15(19),16,21-nonaene-3,14-dione
CID 121383796
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
6,15-Difluoro-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione
CID 123372400
6,7,15,16-Tetrafluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione
CID 123736227
6,15-Difluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione
CID 123783260
6,16-Difluoro-11-thiapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-1(12),2(10),3(8),4,6,14(19),15,17-octaene-9,13-dione
CID 134381495

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-1(12),2,4(8),6,10,13(17),15-heptaene-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-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione (CID 58224269) is 6,7,15,16-tetrafluoro-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-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-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 O=c1c2cc3c(cc2c2sc(F)c(F)c12)c(=O)c1c(F)c(F)sc13.
What is the InChIKey of 6,7,15,16-tetrafluoro-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 UBMDBNBHYAKQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H2F4O2S2/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/h1-2H.
What are the key properties of 6,7,15,16-tetrafluoro-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-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 366.32 g/mol, XLogP of 4.57, 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-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione is sourced from PubChem (CID 58224269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).