5-ethyl-1-(1,1,2,2-tetrafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole

C13H7F17N2 — CID 87551398

IUPAC5-ethyl-1-(1,1,2,2-tetrafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole
SMILESCCc1cnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1C(F)(F)C(F)F
InChIInChI=1S/C13H7F17N2/c1-2-4-3-31-6(32(4)8(18,19)5(14)15)7(16,17)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h3,5H,2H2,1H3
InChIKeyFAZTZYREBKJIQE-UHFFFAOYSA-N
MW514.18 g/mol
LogP6.46
Rot. Bonds8

About 5-ethyl-1-(1,1,2,2-tetrafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole

5-ethyl-1-(1,1,2,2-tetrafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole (PubChem CID 87551398) has the molecular formula C13H7F17N2 and a molecular weight of 514.18 g/mol. Its IUPAC name is 5-ethyl-1-(1,1,2,2-tetrafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole.

Molecular Properties

Compound Name5-ethyl-1-(1,1,2,2-tetrafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole
PubChem CID87551398
Molecular FormulaC13H7F17N2
Molecular Weight514.18 g/mol
Exact Mass514.03
IUPAC Name5-ethyl-1-(1,1,2,2-tetrafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole
SMILESCCc1cnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1C(F)(F)C(F)F
InChIInChI=1S/C13H7F17N2/c1-2-4-3-31-6(32(4)8(18,19)5(14)15)7(16,17)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h3,5H,2H2,1H3
InChIKeyFAZTZYREBKJIQE-UHFFFAOYSA-N
XLogP6.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.18
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5H,6H,7H,8H-imidazo(1,5-a)pyridine
CID 56972745
5-Hexyl-1-pentylimidazol-2-amine;hydrochloride
CID 56659750
1,2-Dimethyl-4-(trifluoromethyl)-1h-imidazole
CID 12747526
1H-Imidazole, 1-(difluoromethyl)-4-methyl-
CID 119094149
1H-Imidazole, 1-(difluoromethyl)-5-methyl-
CID 119094150
1H-Imidazole, 4-methyl-1-pentyl
CID 529337
1H-Imidazole, 5-methyl-1-pentyl
CID 529339
2-Tert-butyl-1-methyl-4-(trifluoromethyl)imidazole
CID 15500426
N-bromodifluoromethyl-2-methylimidazole
CID 129862249
1-Ethyl-4-isopropyl-1H-imidazole
CID 10057571
1-Butyl-4-ethylimidazole
CID 15643148
1-Heptyl-4-methylimidazole
CID 21858038

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(1,1,2,2-tetrafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole?
The IUPAC name of 5-ethyl-1-(1,1,2,2-tetrafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole (CID 87551398) is 5-ethyl-1-(1,1,2,2-tetrafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole.
What is the SMILES notation for 5-ethyl-1-(1,1,2,2-tetrafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole?
The canonical SMILES for 5-ethyl-1-(1,1,2,2-tetrafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole is CCc1cnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1C(F)(F)C(F)F.
What is the InChIKey of 5-ethyl-1-(1,1,2,2-tetrafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole?
The InChIKey is FAZTZYREBKJIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F17N2/c1-2-4-3-31-6(32(4)8(18,19)5(14)15)7(16,17)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h3,5H,2H2,1H3.
What are the key properties of 5-ethyl-1-(1,1,2,2-tetrafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole?
5-ethyl-1-(1,1,2,2-tetrafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole has a molecular weight of 514.18 g/mol, XLogP of 6.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(1,1,2,2-tetrafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole is sourced from PubChem (CID 87551398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).