1-ethenylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C7H7F6N3O4S2 — CID 134128844

IUPAC1-ethenylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESC=Cn1ccnc1.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6N2.C2HF6NO4S2/c1-2-7-4-3-6-5-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-5H,1H2;9H
InChIKeyOVFZHDDKAVGFIS-UHFFFAOYSA-N
MW375.27 g/mol
LogP1.26
Rot. Bonds3

About 1-ethenylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

1-ethenylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 134128844) has the molecular formula C7H7F6N3O4S2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 1-ethenylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Name1-ethenylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID134128844
Molecular FormulaC7H7F6N3O4S2
Molecular Weight375.27 g/mol
Exact Mass374.98
IUPAC Name1-ethenylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESC=Cn1ccnc1.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6N2.C2HF6NO4S2/c1-2-7-4-3-6-5-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-5H,1H2;9H
InChIKeyOVFZHDDKAVGFIS-UHFFFAOYSA-N
XLogP1.26
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of 1-ethenylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 134128844) is 1-ethenylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for 1-ethenylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for 1-ethenylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is C=Cn1ccnc1.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-ethenylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is OVFZHDDKAVGFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.C2HF6NO4S2/c1-2-7-4-3-6-5-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-5H,1H2;9H.
What are the key properties of 1-ethenylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
1-ethenylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 375.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 134128844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).