1H-imidazole;sulfuryl difluoride;trifluoromethanesulfonic acid

C4H5F5N2O5S2 — CID 175317208

IUPAC1H-imidazole;sulfuryl difluoride;trifluoromethanesulfonic acid
SMILESO=S(=O)(F)F.O=S(=O)(O)C(F)(F)F.c1c[nH]cn1
InChIInChI=1S/C3H4N2.CHF3O3S.F2O2S/c1-2-5-3-4-1;2-1(3,4)8(5,6)7;1-5(2,3)4/h1-3H,(H,4,5);(H,5,6,7);
InChIKeyKBYCWIDPMFEZTA-UHFFFAOYSA-N
MW320.22 g/mol
LogP0.97
Rot. Bonds

About 1H-imidazole;sulfuryl difluoride;trifluoromethanesulfonic acid

1H-imidazole;sulfuryl difluoride;trifluoromethanesulfonic acid (PubChem CID 175317208) has the molecular formula C4H5F5N2O5S2 and a molecular weight of 320.22 g/mol. Its IUPAC name is 1H-imidazole;sulfuryl difluoride;trifluoromethanesulfonic acid.

Molecular Properties

Compound Name1H-imidazole;sulfuryl difluoride;trifluoromethanesulfonic acid
PubChem CID175317208
Molecular FormulaC4H5F5N2O5S2
Molecular Weight320.22 g/mol
Exact Mass319.96
IUPAC Name1H-imidazole;sulfuryl difluoride;trifluoromethanesulfonic acid
SMILESO=S(=O)(F)F.O=S(=O)(O)C(F)(F)F.c1c[nH]cn1
InChIInChI=1S/C3H4N2.CHF3O3S.F2O2S/c1-2-5-3-4-1;2-1(3,4)8(5,6)7;1-5(2,3)4/h1-3H,(H,4,5);(H,5,6,7);
InChIKeyKBYCWIDPMFEZTA-UHFFFAOYSA-N
XLogP0.97
TPSA117.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

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CID 174567673
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CID 171922611
cesium;hydrogen sulfate;1H-imidazole
CID 86689419
1-ethyl-3-methyl-2H-imidazole;1H-imidazole;bis(trifluoromethanesulfonic acid)
CID 161057242
bis(1H-imidazole);molecular hydrogen
CID 174658042
copper;1H-imidazole;sulfate
CID 161432361
1H-imidazole;nitroxyl
CID 174498355
tetrakis(1H-imidazole);silicic acid
CID 173065573
1H-imidazole;oxozinc
CID 67355712
1H-imidazole;tetrahydrochloride
CID 141350371
cerium(4+);1H-imidazole
CID 175891649
CID 175227621
CID 175227621

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;sulfuryl difluoride;trifluoromethanesulfonic acid?
The IUPAC name of 1H-imidazole;sulfuryl difluoride;trifluoromethanesulfonic acid (CID 175317208) is 1H-imidazole;sulfuryl difluoride;trifluoromethanesulfonic acid.
What is the SMILES notation for 1H-imidazole;sulfuryl difluoride;trifluoromethanesulfonic acid?
The canonical SMILES for 1H-imidazole;sulfuryl difluoride;trifluoromethanesulfonic acid is O=S(=O)(F)F.O=S(=O)(O)C(F)(F)F.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;sulfuryl difluoride;trifluoromethanesulfonic acid?
The InChIKey is KBYCWIDPMFEZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.CHF3O3S.F2O2S/c1-2-5-3-4-1;2-1(3,4)8(5,6)7;1-5(2,3)4/h1-3H,(H,4,5);(H,5,6,7);.
What are the key properties of 1H-imidazole;sulfuryl difluoride;trifluoromethanesulfonic acid?
1H-imidazole;sulfuryl difluoride;trifluoromethanesulfonic acid has a molecular weight of 320.22 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;sulfuryl difluoride;trifluoromethanesulfonic acid is sourced from PubChem (CID 175317208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).