1-[[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]disulfanyl]-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole

C16F24N2S10 — CID 13155883

IUPAC1-[[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]disulfanyl]-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole
SMILESFC(F)(F)Sc1c(SC(F)(F)F)c(SC(F)(F)F)n(SSn2c(SC(F)(F)F)c(SC(F)(F)F)c(SC(F)(F)F)c2SC(F)(F)F)c1SC(F)(F)F
InChIInChI=1S/C16F24N2S10/c17-9(18,19)43-1-2(44-10(20,21)22)6(48-14(32,33)34)41(5(1)47-13(29,30)31)51-52-42-7(49-15(35,36)37)3(45-11(23,24)25)4(46-12(26,27)28)8(42)50-16(38,39)40
InChIKeyMISHLRQPMLEJEK-UHFFFAOYSA-N
MW996.81 g/mol
LogP15.79
Rot. Bonds11

About 1-[[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]disulfanyl]-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole

1-[[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]disulfanyl]-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole (PubChem CID 13155883) has the molecular formula C16F24N2S10 and a molecular weight of 996.81 g/mol. Its IUPAC name is 1-[[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]disulfanyl]-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole.

Molecular Properties

Compound Name1-[[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]disulfanyl]-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole
PubChem CID13155883
Molecular FormulaC16F24N2S10
Molecular Weight996.81 g/mol
Exact Mass995.69
IUPAC Name1-[[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]disulfanyl]-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole
SMILESFC(F)(F)Sc1c(SC(F)(F)F)c(SC(F)(F)F)n(SSn2c(SC(F)(F)F)c(SC(F)(F)F)c(SC(F)(F)F)c2SC(F)(F)F)c1SC(F)(F)F
InChIInChI=1S/C16F24N2S10/c17-9(18,19)43-1-2(44-10(20,21)22)6(48-14(32,33)34)41(5(1)47-13(29,30)31)51-52-42-7(49-15(35,36)37)3(45-11(23,24)25)4(46-12(26,27)28)8(42)50-16(38,39)40
InChIKeyMISHLRQPMLEJEK-UHFFFAOYSA-N
XLogP15.79
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500996.81
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]disulfanyl]-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole?
The IUPAC name of 1-[[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]disulfanyl]-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole (CID 13155883) is 1-[[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]disulfanyl]-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole.
What is the SMILES notation for 1-[[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]disulfanyl]-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole?
The canonical SMILES for 1-[[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]disulfanyl]-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole is FC(F)(F)Sc1c(SC(F)(F)F)c(SC(F)(F)F)n(SSn2c(SC(F)(F)F)c(SC(F)(F)F)c(SC(F)(F)F)c2SC(F)(F)F)c1SC(F)(F)F.
What is the InChIKey of 1-[[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]disulfanyl]-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole?
The InChIKey is MISHLRQPMLEJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16F24N2S10/c17-9(18,19)43-1-2(44-10(20,21)22)6(48-14(32,33)34)41(5(1)47-13(29,30)31)51-52-42-7(49-15(35,36)37)3(45-11(23,24)25)4(46-12(26,27)28)8(42)50-16(38,39)40.
What are the key properties of 1-[[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]disulfanyl]-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole?
1-[[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]disulfanyl]-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole has a molecular weight of 996.81 g/mol, XLogP of 15.79, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]disulfanyl]-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole is sourced from PubChem (CID 13155883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).