[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate

C10H5F6NO5S2 — CID 10408484

IUPAC[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate
SMILESO=S(=O)(Oc1cc2ccccc2n1S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H5F6NO5S2/c11-9(12,13)23(18,19)17-7-4-2-1-3-6(7)5-8(17)22-24(20,21)10(14,15)16/h1-5H
InChIKeyCHUGMNZYYIYHMD-UHFFFAOYSA-N
MW397.27 g/mol
LogP2.57
Rot. Bonds3

About [1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate

[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate (PubChem CID 10408484) has the molecular formula C10H5F6NO5S2 and a molecular weight of 397.27 g/mol. Its IUPAC name is [1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate
PubChem CID10408484
Molecular FormulaC10H5F6NO5S2
Molecular Weight397.27 g/mol
Exact Mass396.95
IUPAC Name[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate
SMILESO=S(=O)(Oc1cc2ccccc2n1S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H5F6NO5S2/c11-9(12,13)23(18,19)17-7-4-2-1-3-6(7)5-8(17)22-24(20,21)10(14,15)16/h1-5H
InChIKeyCHUGMNZYYIYHMD-UHFFFAOYSA-N
XLogP2.57
TPSA82.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

2-(Trifluoromethylsulfonyloxy)quinoline
CID 11196667
Indolyl triflate
CID 11777610
2-Methylquinolin-4-yl trifluoromethanesulfonate
CID 14657657
1-Fluoroindol-2-ol
CID 57307079
[2-(1H-indol-2-yl)phenyl] trifluoromethanesulfonate
CID 102202829
Ethyl 2-(trifluoromethylsulfonyloxy)indole-1-carboxylate
CID 11573609
[1-(Benzenesulfonyl)indol-2-yl] trifluoromethanesulfonate
CID 11825648
(1-Acetyl-2-butylindol-5-yl) trifluoromethanesulfonate
CID 14493116
3-Fluoro-1-phenylindol-2-olate
CID 134957884
Quinolin-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 135052857
Dioxyindol
CID 19848967
Monobromoxindole
CID 57225193

Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate?
The IUPAC name of [1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate (CID 10408484) is [1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate.
What is the SMILES notation for [1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate?
The canonical SMILES for [1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate is O=S(=O)(Oc1cc2ccccc2n1S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate?
The InChIKey is CHUGMNZYYIYHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F6NO5S2/c11-9(12,13)23(18,19)17-7-4-2-1-3-6(7)5-8(17)22-24(20,21)10(14,15)16/h1-5H.
What are the key properties of [1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate?
[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate has a molecular weight of 397.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate is sourced from PubChem (CID 10408484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).