1-propylimidazole;1,1,2,2-tetrafluoroethyl 1,1,2,2-tetrafluoroethanesulfonate

C10H12F8N2O3S — CID 87550974

IUPAC1-propylimidazole;1,1,2,2-tetrafluoroethyl 1,1,2,2-tetrafluoroethanesulfonate
SMILESCCCn1ccnc1.O=S(=O)(OC(F)(F)C(F)F)C(F)(F)C(F)F
InChIInChI=1S/C6H10N2.C4H2F8O3S/c1-2-4-8-5-3-7-6-8;5-1(6)3(9,10)15-16(13,14)4(11,12)2(7)8/h3,5-6H,2,4H2,1H3;1-2H
InChIKeyIRPLOQUBHOZCBM-UHFFFAOYSA-N
MW392.27 g/mol
LogP3.34
Rot. Bonds7

About 1-propylimidazole;1,1,2,2-tetrafluoroethyl 1,1,2,2-tetrafluoroethanesulfonate

1-propylimidazole;1,1,2,2-tetrafluoroethyl 1,1,2,2-tetrafluoroethanesulfonate (PubChem CID 87550974) has the molecular formula C10H12F8N2O3S and a molecular weight of 392.27 g/mol. Its IUPAC name is 1-propylimidazole;1,1,2,2-tetrafluoroethyl 1,1,2,2-tetrafluoroethanesulfonate.

Molecular Properties

Compound Name1-propylimidazole;1,1,2,2-tetrafluoroethyl 1,1,2,2-tetrafluoroethanesulfonate
PubChem CID87550974
Molecular FormulaC10H12F8N2O3S
Molecular Weight392.27 g/mol
Exact Mass392.04
IUPAC Name1-propylimidazole;1,1,2,2-tetrafluoroethyl 1,1,2,2-tetrafluoroethanesulfonate
SMILESCCCn1ccnc1.O=S(=O)(OC(F)(F)C(F)F)C(F)(F)C(F)F
InChIInChI=1S/C6H10N2.C4H2F8O3S/c1-2-4-8-5-3-7-6-8;5-1(6)3(9,10)15-16(13,14)4(11,12)2(7)8/h3,5-6H,2,4H2,1H3;1-2H
InChIKeyIRPLOQUBHOZCBM-UHFFFAOYSA-N
XLogP3.34
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-3-methylimidazolium methanesulfonate
CID 16211849
1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11750474
1-Hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
CID 10411334
1-Decyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide
CID 12040509
1-Methyl-3-n-octylimidazolium Bis(trifluoromethanesulfonyl)imide
CID 12184591
1-Methyl-3-n-octylimidazolium Trifluoromethanesulfonate
CID 16212746
1-Ethyl-3-methylimidazolium trifluoromethanesulfonate
CID 2758874
1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11212667
1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11258643
1-Ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide
CID 11731903
1-Heptyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
CID 12184590
1-Decyl-3-methylimidazolium triflate
CID 22239085

Frequently Asked Questions

What is the IUPAC name of 1-propylimidazole;1,1,2,2-tetrafluoroethyl 1,1,2,2-tetrafluoroethanesulfonate?
The IUPAC name of 1-propylimidazole;1,1,2,2-tetrafluoroethyl 1,1,2,2-tetrafluoroethanesulfonate (CID 87550974) is 1-propylimidazole;1,1,2,2-tetrafluoroethyl 1,1,2,2-tetrafluoroethanesulfonate.
What is the SMILES notation for 1-propylimidazole;1,1,2,2-tetrafluoroethyl 1,1,2,2-tetrafluoroethanesulfonate?
The canonical SMILES for 1-propylimidazole;1,1,2,2-tetrafluoroethyl 1,1,2,2-tetrafluoroethanesulfonate is CCCn1ccnc1.O=S(=O)(OC(F)(F)C(F)F)C(F)(F)C(F)F.
What is the InChIKey of 1-propylimidazole;1,1,2,2-tetrafluoroethyl 1,1,2,2-tetrafluoroethanesulfonate?
The InChIKey is IRPLOQUBHOZCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C4H2F8O3S/c1-2-4-8-5-3-7-6-8;5-1(6)3(9,10)15-16(13,14)4(11,12)2(7)8/h3,5-6H,2,4H2,1H3;1-2H.
What are the key properties of 1-propylimidazole;1,1,2,2-tetrafluoroethyl 1,1,2,2-tetrafluoroethanesulfonate?
1-propylimidazole;1,1,2,2-tetrafluoroethyl 1,1,2,2-tetrafluoroethanesulfonate has a molecular weight of 392.27 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylimidazole;1,1,2,2-tetrafluoroethyl 1,1,2,2-tetrafluoroethanesulfonate is sourced from PubChem (CID 87550974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).