1-[2,6-dimethyl-4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-enyl]phenyl]-3-[4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoronon-1-enyl]-2,6-dimethylphenyl]-2-propan-2-yl-2H-imidazole

C39H33F25N2 — CID 174351062

About 1-[2,6-dimethyl-4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-enyl]phenyl]-3-[4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoronon-1-enyl]-2,6-dimethylphenyl]-2-propan-2-yl-2H-imidazole

1-[2,6-dimethyl-4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-enyl]phenyl]-3-[4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoronon-1-enyl]-2,6-dimethylphenyl]-2-propan-2-yl-2H-imidazole (PubChem CID 174351062) has the molecular formula C39H33F25N2 and a molecular weight of 1004.66 g/mol. Its IUPAC name is 1-[2,6-dimethyl-4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-enyl]phenyl]-3-[4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoronon-1-enyl]-2,6-dimethylphenyl]-2-propan-2-yl-2H-imidazole.

Molecular Properties

• Compound Name: 1-[2,6-dimethyl-4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-enyl]phenyl]-3-[4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoronon-1-enyl]-2,6-dimethylphenyl]-2-propan-2-yl-2H-imidazole
• PubChem CID: 174351062
• Molecular Formula: C39H33F25N2
• Molecular Weight: 1004.66 g/mol
• Exact Mass: 1004.22
• IUPAC Name: 1-[2,6-dimethyl-4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-enyl]phenyl]-3-[4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoronon-1-enyl]-2,6-dimethylphenyl]-2-propan-2-yl-2H-imidazole
• SMILES: Cc1cc(/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F)cc(C)c1N1C=CN(c2c(C)cc(/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2C)C1C(C)C
• InChI: InChI=1S/C39H33F25N2/c1-18(2)27-65(25-19(3)14-23(15-20(25)4)8-10-29(42,43)32(48,49)35(54,55)34(52,53)31(46,47)28(7,40)41)12-13-66(27)26-21(5)16-24(17-22(26)6)9-11-30(44,45)33(50,51)36(56,57)37(58,59)38(60,61)39(62,63)64/h8-18,27H,1-7H3/b10-8+,11-9+
• InChIKey: PLHILTYUCCBNFF-GFULKKFKSA-N
• XLogP: 15.30
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 16
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1004.66
LogP ≤ 5	15.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dimethyl-4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-enyl]phenyl]-3-[4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoronon-1-enyl]-2,6-dimethylphenyl]-2-propan-2-yl-2H-imidazole?

The IUPAC name of 1-[2,6-dimethyl-4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-enyl]phenyl]-3-[4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoronon-1-enyl]-2,6-dimethylphenyl]-2-propan-2-yl-2H-imidazole (CID 174351062) is 1-[2,6-dimethyl-4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-enyl]phenyl]-3-[4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoronon-1-enyl]-2,6-dimethylphenyl]-2-propan-2-yl-2H-imidazole.

What is the SMILES notation for 1-[2,6-dimethyl-4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-enyl]phenyl]-3-[4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoronon-1-enyl]-2,6-dimethylphenyl]-2-propan-2-yl-2H-imidazole?

The canonical SMILES for 1-[2,6-dimethyl-4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-enyl]phenyl]-3-[4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoronon-1-enyl]-2,6-dimethylphenyl]-2-propan-2-yl-2H-imidazole is Cc1cc(/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F)cc(C)c1N1C=CN(c2c(C)cc(/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2C)C1C(C)C.

What is the InChIKey of 1-[2,6-dimethyl-4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-enyl]phenyl]-3-[4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoronon-1-enyl]-2,6-dimethylphenyl]-2-propan-2-yl-2H-imidazole?

The InChIKey is PLHILTYUCCBNFF-GFULKKFKSA-N. The full InChI is InChI=1S/C39H33F25N2/c1-18(2)27-65(25-19(3)14-23(15-20(25)4)8-10-29(42,43)32(48,49)35(54,55)34(52,53)31(46,47)28(7,40)41)12-13-66(27)26-21(5)16-24(17-22(26)6)9-11-30(44,45)33(50,51)36(56,57)37(58,59)38(60,61)39(62,63)64/h8-18,27H,1-7H3/b10-8+,11-9+.

What are the key properties of 1-[2,6-dimethyl-4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-enyl]phenyl]-3-[4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoronon-1-enyl]-2,6-dimethylphenyl]-2-propan-2-yl-2H-imidazole?

1-[2,6-dimethyl-4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-enyl]phenyl]-3-[4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoronon-1-enyl]-2,6-dimethylphenyl]-2-propan-2-yl-2H-imidazole has a molecular weight of 1004.66 g/mol, XLogP of 15.30, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,6-dimethyl-4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-enyl]phenyl]-3-[4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoronon-1-enyl]-2,6-dimethylphenyl]-2-propan-2-yl-2H-imidazole is sourced from PubChem (CID 174351062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).