2,3,4,5-tetrakis(trifluoromethylsulfanyl)-1H-pyrrole

C8HF12NS4 — CID 633943

IUPAC2,3,4,5-tetrakis(trifluoromethylsulfanyl)-1H-pyrrole
SMILESFC(F)(F)Sc1[nH]c(SC(F)(F)F)c(SC(F)(F)F)c1SC(F)(F)F
InChIInChI=1S/C8HF12NS4/c9-5(10,11)22-1-2(23-6(12,13)14)4(25-8(18,19)20)21-3(1)24-7(15,16)17/h21H
InChIKeyNDDDTDLPPCDDNF-UHFFFAOYSA-N
MW467.35 g/mol
LogP7.46
Rot. Bonds4

About 2,3,4,5-tetrakis(trifluoromethylsulfanyl)-1H-pyrrole

2,3,4,5-tetrakis(trifluoromethylsulfanyl)-1H-pyrrole (PubChem CID 633943) has the molecular formula C8HF12NS4 and a molecular weight of 467.35 g/mol. Its IUPAC name is 2,3,4,5-tetrakis(trifluoromethylsulfanyl)-1H-pyrrole.

Molecular Properties

Compound Name2,3,4,5-tetrakis(trifluoromethylsulfanyl)-1H-pyrrole
PubChem CID633943
Molecular FormulaC8HF12NS4
Molecular Weight467.35 g/mol
Exact Mass466.88
IUPAC Name2,3,4,5-tetrakis(trifluoromethylsulfanyl)-1H-pyrrole
SMILESFC(F)(F)Sc1[nH]c(SC(F)(F)F)c(SC(F)(F)F)c1SC(F)(F)F
InChIInChI=1S/C8HF12NS4/c9-5(10,11)22-1-2(23-6(12,13)14)4(25-8(18,19)20)21-3(1)24-7(15,16)17/h21H
InChIKeyNDDDTDLPPCDDNF-UHFFFAOYSA-N
XLogP7.46
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.35
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrakis(trifluoromethylsulfanyl)-1H-pyrrole?
The IUPAC name of 2,3,4,5-tetrakis(trifluoromethylsulfanyl)-1H-pyrrole (CID 633943) is 2,3,4,5-tetrakis(trifluoromethylsulfanyl)-1H-pyrrole.
What is the SMILES notation for 2,3,4,5-tetrakis(trifluoromethylsulfanyl)-1H-pyrrole?
The canonical SMILES for 2,3,4,5-tetrakis(trifluoromethylsulfanyl)-1H-pyrrole is FC(F)(F)Sc1[nH]c(SC(F)(F)F)c(SC(F)(F)F)c1SC(F)(F)F.
What is the InChIKey of 2,3,4,5-tetrakis(trifluoromethylsulfanyl)-1H-pyrrole?
The InChIKey is NDDDTDLPPCDDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF12NS4/c9-5(10,11)22-1-2(23-6(12,13)14)4(25-8(18,19)20)21-3(1)24-7(15,16)17/h21H.
What are the key properties of 2,3,4,5-tetrakis(trifluoromethylsulfanyl)-1H-pyrrole?
2,3,4,5-tetrakis(trifluoromethylsulfanyl)-1H-pyrrole has a molecular weight of 467.35 g/mol, XLogP of 7.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrakis(trifluoromethylsulfanyl)-1H-pyrrole is sourced from PubChem (CID 633943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).