1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-methyl-1H-imidazole

C7H8F6N2O3S — CID 174887908

IUPAC1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-methyl-1H-imidazole
SMILESCc1ncc[nH]1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C4H6N2.C3H2F6O3S/c1-4-5-2-3-6-4;4-1(5)2(6,7)3(8,9)13(10,11)12/h2-3H,1H3,(H,5,6);1H,(H,10,11,12)
InChIKeyVCFXNXYGZVOAHD-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.09
Rot. Bonds3

About 1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-methyl-1H-imidazole

1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-methyl-1H-imidazole (PubChem CID 174887908) has the molecular formula C7H8F6N2O3S and a molecular weight of 314.21 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-methyl-1H-imidazole.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-methyl-1H-imidazole
PubChem CID174887908
Molecular FormulaC7H8F6N2O3S
Molecular Weight314.21 g/mol
Exact Mass314.02
IUPAC Name1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-methyl-1H-imidazole
SMILESCc1ncc[nH]1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C4H6N2.C3H2F6O3S/c1-4-5-2-3-6-4;4-1(5)2(6,7)3(8,9)13(10,11)12/h2-3H,1H3,(H,5,6);1H,(H,10,11,12)
InChIKeyVCFXNXYGZVOAHD-UHFFFAOYSA-N
XLogP2.09
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-methyl-1H-imidazole?
The IUPAC name of 1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-methyl-1H-imidazole (CID 174887908) is 1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-methyl-1H-imidazole.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-methyl-1H-imidazole?
The canonical SMILES for 1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-methyl-1H-imidazole is Cc1ncc[nH]1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-methyl-1H-imidazole?
The InChIKey is VCFXNXYGZVOAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C3H2F6O3S/c1-4-5-2-3-6-4;4-1(5)2(6,7)3(8,9)13(10,11)12/h2-3H,1H3,(H,5,6);1H,(H,10,11,12).
What are the key properties of 1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-methyl-1H-imidazole?
1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-methyl-1H-imidazole has a molecular weight of 314.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-methyl-1H-imidazole is sourced from PubChem (CID 174887908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).