2-[2,2-bis(trifluoromethylsulfonyl)ethenyl]-1H-pyrrole

C8H5F6NO4S2 — CID 71443511

IUPAC2-[2,2-bis(trifluoromethylsulfonyl)ethenyl]-1H-pyrrole
SMILESO=S(=O)(C(=Cc1ccc[nH]1)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H5F6NO4S2/c9-7(10,11)20(16,17)6(4-5-2-1-3-15-5)21(18,19)8(12,13)14/h1-4,15H
InChIKeyKWSZWYMTOBYSIN-UHFFFAOYSA-N
MW357.25 g/mol
LogP2.18
Rot. Bonds3

About 2-[2,2-bis(trifluoromethylsulfonyl)ethenyl]-1H-pyrrole

2-[2,2-bis(trifluoromethylsulfonyl)ethenyl]-1H-pyrrole (PubChem CID 71443511) has the molecular formula C8H5F6NO4S2 and a molecular weight of 357.25 g/mol. Its IUPAC name is 2-[2,2-bis(trifluoromethylsulfonyl)ethenyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[2,2-bis(trifluoromethylsulfonyl)ethenyl]-1H-pyrrole
PubChem CID71443511
Molecular FormulaC8H5F6NO4S2
Molecular Weight357.25 g/mol
Exact Mass356.96
IUPAC Name2-[2,2-bis(trifluoromethylsulfonyl)ethenyl]-1H-pyrrole
SMILESO=S(=O)(C(=Cc1ccc[nH]1)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H5F6NO4S2/c9-7(10,11)20(16,17)6(4-5-2-1-3-15-5)21(18,19)8(12,13)14/h1-4,15H
InChIKeyKWSZWYMTOBYSIN-UHFFFAOYSA-N
XLogP2.18
TPSA84.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridinium Trifluoromethanesulfonate
CID 2734866
2-(trifluoromethyl)-1H-pyrrole
CID 10931475
2-(Heptafluoropropyl)-1H-pyrrole
CID 14026653
5-(trifluoromethyl)-1H-pyrrole-3-sulfonyl chloride
CID 86812179
(E)-2-methylsulfonyl-3-(1H-pyrrol-2-yl)prop-2-enenitrile
CID 44607964
Fluoromethylpyrrole
CID 22747517
Pyridinium bis(trifluoromethylsulfonyl)imide
CID 87457756
2-Methylpyridinium trifluoromethanesulfonate
CID 121332801
Tetrafluoroethylpyrrole
CID 129815539
2-(Pentafluoroethyl)-1,3-azole
CID 168474935
1H-Pyrrole-2-methanethiol
CID 55286257
2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrrole
CID 86171779

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(trifluoromethylsulfonyl)ethenyl]-1H-pyrrole?
The IUPAC name of 2-[2,2-bis(trifluoromethylsulfonyl)ethenyl]-1H-pyrrole (CID 71443511) is 2-[2,2-bis(trifluoromethylsulfonyl)ethenyl]-1H-pyrrole.
What is the SMILES notation for 2-[2,2-bis(trifluoromethylsulfonyl)ethenyl]-1H-pyrrole?
The canonical SMILES for 2-[2,2-bis(trifluoromethylsulfonyl)ethenyl]-1H-pyrrole is O=S(=O)(C(=Cc1ccc[nH]1)S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[2,2-bis(trifluoromethylsulfonyl)ethenyl]-1H-pyrrole?
The InChIKey is KWSZWYMTOBYSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO4S2/c9-7(10,11)20(16,17)6(4-5-2-1-3-15-5)21(18,19)8(12,13)14/h1-4,15H.
What are the key properties of 2-[2,2-bis(trifluoromethylsulfonyl)ethenyl]-1H-pyrrole?
2-[2,2-bis(trifluoromethylsulfonyl)ethenyl]-1H-pyrrole has a molecular weight of 357.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(trifluoromethylsulfonyl)ethenyl]-1H-pyrrole is sourced from PubChem (CID 71443511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).