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

C9H3F13N2 — CID 91373212

IUPAC1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)n1ccnc1
InChIInChI=1S/C9H3F13N2/c10-4(11,6(14,15)8(18,19)20)5(12,13)7(16,17)9(21,22)24-2-1-23-3-24/h1-3H
InChIKeyMDNRPDOUXITICS-UHFFFAOYSA-N
MW386.11 g/mol
LogP4.54
Rot. Bonds5

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

1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole (PubChem CID 91373212) has the molecular formula C9H3F13N2 and a molecular weight of 386.11 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole
PubChem CID91373212
Molecular FormulaC9H3F13N2
Molecular Weight386.11 g/mol
Exact Mass386.01
IUPAC Name1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)n1ccnc1
InChIInChI=1S/C9H3F13N2/c10-4(11,6(14,15)8(18,19)20)5(12,13)7(16,17)9(21,22)24-2-1-23-3-24/h1-3H
InChIKeyMDNRPDOUXITICS-UHFFFAOYSA-N
XLogP4.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.11
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole?
The IUPAC name of 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole (CID 91373212) is 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole.
What is the SMILES notation for 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole?
The canonical SMILES for 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)n1ccnc1.
What is the InChIKey of 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole?
The InChIKey is MDNRPDOUXITICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F13N2/c10-4(11,6(14,15)8(18,19)20)5(12,13)7(16,17)9(21,22)24-2-1-23-3-24/h1-3H.
What are the key properties of 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole?
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole has a molecular weight of 386.11 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole is sourced from PubChem (CID 91373212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).