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

C16F24N2S9 — CID 13155882

IUPAC1-[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]sulfanyl-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole
SMILESFC(F)(F)Sc1c(SC(F)(F)F)c(SC(F)(F)F)n(Sn2c(SC(F)(F)F)c(SC(F)(F)F)c(SC(F)(F)F)c2SC(F)(F)F)c1SC(F)(F)F
InChIInChI=1S/C16F24N2S9/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)51-42-7(49-15(35,36)37)3(45-11(23,24)25)4(46-12(26,27)28)8(42)50-16(38,39)40
InChIKeySAYUOVFLLUIOGZ-UHFFFAOYSA-N
MW964.74 g/mol
LogP15.14
Rot. Bonds10

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

1-[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]sulfanyl-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole (PubChem CID 13155882) has the molecular formula C16F24N2S9 and a molecular weight of 964.74 g/mol. Its IUPAC name is 1-[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]sulfanyl-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole.

Molecular Properties

Compound Name1-[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]sulfanyl-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole
PubChem CID13155882
Molecular FormulaC16F24N2S9
Molecular Weight964.74 g/mol
Exact Mass963.72
IUPAC Name1-[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]sulfanyl-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole
SMILESFC(F)(F)Sc1c(SC(F)(F)F)c(SC(F)(F)F)n(Sn2c(SC(F)(F)F)c(SC(F)(F)F)c(SC(F)(F)F)c2SC(F)(F)F)c1SC(F)(F)F
InChIInChI=1S/C16F24N2S9/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)51-42-7(49-15(35,36)37)3(45-11(23,24)25)4(46-12(26,27)28)8(42)50-16(38,39)40
InChIKeySAYUOVFLLUIOGZ-UHFFFAOYSA-N
XLogP15.14
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500964.74
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]sulfanyl-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole?
The IUPAC name of 1-[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]sulfanyl-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole (CID 13155882) is 1-[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]sulfanyl-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole.
What is the SMILES notation for 1-[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]sulfanyl-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole?
The canonical SMILES for 1-[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]sulfanyl-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole is FC(F)(F)Sc1c(SC(F)(F)F)c(SC(F)(F)F)n(Sn2c(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]sulfanyl-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole?
The InChIKey is SAYUOVFLLUIOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16F24N2S9/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)51-42-7(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]sulfanyl-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole?
1-[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]sulfanyl-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole has a molecular weight of 964.74 g/mol, XLogP of 15.14, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]sulfanyl-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole is sourced from PubChem (CID 13155882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).