1,1,2,2-tetrafluoroethene;2,4,5-trihexyl-1-methylimidazole

C24H42F4N2 — CID 171926513

IUPAC1,1,2,2-tetrafluoroethene;2,4,5-trihexyl-1-methylimidazole
SMILESCCCCCCc1nc(CCCCCC)n(C)c1CCCCCC.FC(F)=C(F)F
InChIInChI=1S/C22H42N2.C2F4/c1-5-8-11-14-17-20-21(18-15-12-9-6-2)24(4)22(23-20)19-16-13-10-7-3;3-1(4)2(5)6/h5-19H2,1-4H3;
InChIKeyCYNWZZPYFZFRNL-UHFFFAOYSA-N
MW434.61 g/mol
LogP8.78
Rot. Bonds15

About 1,1,2,2-tetrafluoroethene;2,4,5-trihexyl-1-methylimidazole

1,1,2,2-tetrafluoroethene;2,4,5-trihexyl-1-methylimidazole (PubChem CID 171926513) has the molecular formula C24H42F4N2 and a molecular weight of 434.61 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoroethene;2,4,5-trihexyl-1-methylimidazole.

Molecular Properties

Compound Name1,1,2,2-tetrafluoroethene;2,4,5-trihexyl-1-methylimidazole
PubChem CID171926513
Molecular FormulaC24H42F4N2
Molecular Weight434.61 g/mol
Exact Mass434.33
IUPAC Name1,1,2,2-tetrafluoroethene;2,4,5-trihexyl-1-methylimidazole
SMILESCCCCCCc1nc(CCCCCC)n(C)c1CCCCCC.FC(F)=C(F)F
InChIInChI=1S/C22H42N2.C2F4/c1-5-8-11-14-17-20-21(18-15-12-9-6-2)24(4)22(23-20)19-16-13-10-7-3;3-1(4)2(5)6/h5-19H2,1-4H3;
InChIKeyCYNWZZPYFZFRNL-UHFFFAOYSA-N
XLogP8.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,2,2-tetrafluoroethene;2,4,5-trihexyl-1-methylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoroethene;2,4,5-trihexyl-1-methylimidazole?
The IUPAC name of 1,1,2,2-tetrafluoroethene;2,4,5-trihexyl-1-methylimidazole (CID 171926513) is 1,1,2,2-tetrafluoroethene;2,4,5-trihexyl-1-methylimidazole.
What is the SMILES notation for 1,1,2,2-tetrafluoroethene;2,4,5-trihexyl-1-methylimidazole?
The canonical SMILES for 1,1,2,2-tetrafluoroethene;2,4,5-trihexyl-1-methylimidazole is CCCCCCc1nc(CCCCCC)n(C)c1CCCCCC.FC(F)=C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoroethene;2,4,5-trihexyl-1-methylimidazole?
The InChIKey is CYNWZZPYFZFRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2.C2F4/c1-5-8-11-14-17-20-21(18-15-12-9-6-2)24(4)22(23-20)19-16-13-10-7-3;3-1(4)2(5)6/h5-19H2,1-4H3;.
What are the key properties of 1,1,2,2-tetrafluoroethene;2,4,5-trihexyl-1-methylimidazole?
1,1,2,2-tetrafluoroethene;2,4,5-trihexyl-1-methylimidazole has a molecular weight of 434.61 g/mol, XLogP of 8.78, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoroethene;2,4,5-trihexyl-1-methylimidazole is sourced from PubChem (CID 171926513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).