5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1H-imidazole

C11H3F17N2 — CID 575982

IUPAC5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1H-imidazole
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cnc[nH]1
InChIInChI=1S/C11H3F17N2/c12-4(13,3-1-29-2-30-3)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H,(H,29,30)
InChIKeyZJGFRIPXEMYHFJ-UHFFFAOYSA-N
MW486.13 g/mol
LogP5.88
Rot. Bonds7

About 5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1H-imidazole

5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1H-imidazole (PubChem CID 575982) has the molecular formula C11H3F17N2 and a molecular weight of 486.13 g/mol. Its IUPAC name is 5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1H-imidazole.

Molecular Properties

Compound Name5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1H-imidazole
PubChem CID575982
Molecular FormulaC11H3F17N2
Molecular Weight486.13 g/mol
Exact Mass486.00
IUPAC Name5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1H-imidazole
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cnc[nH]1
InChIInChI=1S/C11H3F17N2/c12-4(13,3-1-29-2-30-3)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H,(H,29,30)
InChIKeyZJGFRIPXEMYHFJ-UHFFFAOYSA-N
XLogP5.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.13
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 3615
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2-((1S,2S)-2-(1H-Imidazol-4-yl)cyclopropyl)ethanamine
CID 10154137
2-((1R,2R)-2-(1H-Imidazol-5-yl)cyclopropyl)ethanamine
CID 11829635
4-(1H-imidazol-4-yl)butanamine
CID 13499360
1H-Imidazole-5-propanamine
CID 170389
Improgan
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4(5)-(Trifluoromethyl)imidazole
CID 585891
3-ethyl-1-[5-(1H-imidazol-4-yl)pentyl]thiourea
CID 10466840
(S)-alpha-Methylhistamine
CID 6603865
4-Hept-3-ynyl-1H-imidazole
CID 10630835

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1H-imidazole?
The IUPAC name of 5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1H-imidazole (CID 575982) is 5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1H-imidazole.
What is the SMILES notation for 5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1H-imidazole?
The canonical SMILES for 5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1H-imidazole is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cnc[nH]1.
What is the InChIKey of 5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1H-imidazole?
The InChIKey is ZJGFRIPXEMYHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3F17N2/c12-4(13,3-1-29-2-30-3)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H,(H,29,30).
What are the key properties of 5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1H-imidazole?
5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1H-imidazole has a molecular weight of 486.13 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1H-imidazole is sourced from PubChem (CID 575982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).