1-(2,3,5,6-tetrafluorophenyl)imidazole

C9H4F4N2 — CID 688180

IUPAC1-(2,3,5,6-tetrafluorophenyl)imidazole
SMILESFc1cc(F)c(F)c(-n2ccnc2)c1F
InChIInChI=1S/C9H4F4N2/c10-5-3-6(11)8(13)9(7(5)12)15-2-1-14-4-15/h1-4H
InChIKeyLMGDDTFQPQTOIU-UHFFFAOYSA-N
MW216.14 g/mol
LogP2.43
Rot. Bonds1

About 1-(2,3,5,6-tetrafluorophenyl)imidazole

1-(2,3,5,6-tetrafluorophenyl)imidazole (PubChem CID 688180) has the molecular formula C9H4F4N2 and a molecular weight of 216.14 g/mol. Its IUPAC name is 1-(2,3,5,6-tetrafluorophenyl)imidazole.

Molecular Properties

Compound Name1-(2,3,5,6-tetrafluorophenyl)imidazole
PubChem CID688180
Molecular FormulaC9H4F4N2
Molecular Weight216.14 g/mol
Exact Mass216.03
IUPAC Name1-(2,3,5,6-tetrafluorophenyl)imidazole
SMILESFc1cc(F)c(F)c(-n2ccnc2)c1F
InChIInChI=1S/C9H4F4N2/c10-5-3-6(11)8(13)9(7(5)12)15-2-1-14-4-15/h1-4H
InChIKeyLMGDDTFQPQTOIU-UHFFFAOYSA-N
XLogP2.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.14
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

Trim
CID 1359
1-Phenylimidazole
CID 81595
1-(4-Chlorophenyl)-1H-imidazole
CID 142859
4-(1H-imidazol-1-yl)aniline
CID 320165
4-(2-methyl-1H-imidazol-1-yl)aniline
CID 3157478
1-(4-Nitrophenyl)-1H-imidazole
CID 123155
1-(3-Chlorophenyl)-1H-imidazole
CID 99349
1-(4-Fluorophenyl)imidazole
CID 140833
3-(2-Methyl-1H-imidazol-1-yl)pyridine
CID 16654686
3-(1H-Imidazol-1-yl)pyridine
CID 4730695
2-(2-(4-(Dimethylamino)phenyl)diazenyl)-1,3-dimethyl-1H-imidazolium chloride (1:1)
CID 166491
1-(3-Fluorophenyl)imidazole
CID 2737472

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetrafluorophenyl)imidazole?
The IUPAC name of 1-(2,3,5,6-tetrafluorophenyl)imidazole (CID 688180) is 1-(2,3,5,6-tetrafluorophenyl)imidazole.
What is the SMILES notation for 1-(2,3,5,6-tetrafluorophenyl)imidazole?
The canonical SMILES for 1-(2,3,5,6-tetrafluorophenyl)imidazole is Fc1cc(F)c(F)c(-n2ccnc2)c1F.
What is the InChIKey of 1-(2,3,5,6-tetrafluorophenyl)imidazole?
The InChIKey is LMGDDTFQPQTOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F4N2/c10-5-3-6(11)8(13)9(7(5)12)15-2-1-14-4-15/h1-4H.
What are the key properties of 1-(2,3,5,6-tetrafluorophenyl)imidazole?
1-(2,3,5,6-tetrafluorophenyl)imidazole has a molecular weight of 216.14 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetrafluorophenyl)imidazole is sourced from PubChem (CID 688180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).