8,8,9,9,10,10-hexafluoro-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,11,13-pentaene

C13H4F6S2 — CID 101086498

IUPAC8,8,9,9,10,10-hexafluoro-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,11,13-pentaene
SMILESFC1(F)c2c(c3ccsc3c3sccc23)C(F)(F)C1(F)F
InChIInChI=1S/C13H4F6S2/c14-11(15)7-5-1-3-20-9(5)10-6(2-4-21-10)8(7)12(16,17)13(11,18)19/h1-4H
InChIKeyGFQSDZQCAMPODH-UHFFFAOYSA-N
MW338.30 g/mol
LogP5.95
Rot. Bonds

About 8,8,9,9,10,10-hexafluoro-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,11,13-pentaene

8,8,9,9,10,10-hexafluoro-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,11,13-pentaene (PubChem CID 101086498) has the molecular formula C13H4F6S2 and a molecular weight of 338.30 g/mol. Its IUPAC name is 8,8,9,9,10,10-hexafluoro-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,11,13-pentaene.

Molecular Properties

Compound Name8,8,9,9,10,10-hexafluoro-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,11,13-pentaene
PubChem CID101086498
Molecular FormulaC13H4F6S2
Molecular Weight338.30 g/mol
Exact Mass337.97
IUPAC Name8,8,9,9,10,10-hexafluoro-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,11,13-pentaene
SMILESFC1(F)c2c(c3ccsc3c3sccc23)C(F)(F)C1(F)F
InChIInChI=1S/C13H4F6S2/c14-11(15)7-5-1-3-20-9(5)10-6(2-4-21-10)8(7)12(16,17)13(11,18)19/h1-4H
InChIKeyGFQSDZQCAMPODH-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.30
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 8,8,9,9,10,10-hexafluoro-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,11,13-pentaene with MolForge

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Related Compounds

2-fluoro-3-[3,3,4,4,5,5-hexafluoro-2-(2-fluorothiophen-3-yl)cyclopenten-1-yl]thiophene
CID 11222609
4,14-dichloro-8,8,9,9,10,10-hexafluoro-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,11,13-pentaene
CID 101381002
4,5-di(thiophen-3-yl)thieno[3,2-g][1]benzothiole
CID 102164796
7,10,20,23-tetrathia-2,15-diazaheptacyclo[14.10.0.03,14.04,8.09,13.017,21.022,26]hexacosa-1,3,5,8,11,13,15,17(21),18,22(26),24-undecaene
CID 102314304
4,7-dichloro-6-(difluoromethyl)-1-benzothiophene
CID 130785826
4,5-diphenylthieno[3,2-g][1]benzothiole
CID 68617982
2,3,5,6-tetrafluorocyclohexa-2,5-diene-1,4-dione;bis(3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene)
CID 139204020
4,7-dimethoxy-1-benzothiophene
CID 11095506
4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine
CID 130926303
3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene-7,14-dione
CID 126765633
4-bromo-7-fluoro-1-benzothiophene
CID 22474138
7-fluoro-4-methyl-1-benzothiophene
CID 66644704

Frequently Asked Questions

What is the IUPAC name of 8,8,9,9,10,10-hexafluoro-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,11,13-pentaene?
The IUPAC name of 8,8,9,9,10,10-hexafluoro-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,11,13-pentaene (CID 101086498) is 8,8,9,9,10,10-hexafluoro-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,11,13-pentaene.
What is the SMILES notation for 8,8,9,9,10,10-hexafluoro-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,11,13-pentaene?
The canonical SMILES for 8,8,9,9,10,10-hexafluoro-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,11,13-pentaene is FC1(F)c2c(c3ccsc3c3sccc23)C(F)(F)C1(F)F.
What is the InChIKey of 8,8,9,9,10,10-hexafluoro-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,11,13-pentaene?
The InChIKey is GFQSDZQCAMPODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4F6S2/c14-11(15)7-5-1-3-20-9(5)10-6(2-4-21-10)8(7)12(16,17)13(11,18)19/h1-4H.
What are the key properties of 8,8,9,9,10,10-hexafluoro-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,11,13-pentaene?
8,8,9,9,10,10-hexafluoro-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,11,13-pentaene has a molecular weight of 338.30 g/mol, XLogP of 5.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,9,9,10,10-hexafluoro-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,11,13-pentaene is sourced from PubChem (CID 101086498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).