1-[2-nitro-4-(trifluoromethoxy)phenyl]imidazole

C10H6F3N3O3 — CID 59333320

IUPAC1-[2-nitro-4-(trifluoromethoxy)phenyl]imidazole
SMILESO=[N+]([O-])c1cc(OC(F)(F)F)ccc1-n1ccnc1
InChIInChI=1S/C10H6F3N3O3/c11-10(12,13)19-7-1-2-8(9(5-7)16(17)18)15-4-3-14-6-15/h1-6H
InChIKeySSRLRCRDOVRFNY-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.68
Rot. Bonds3

About 1-[2-nitro-4-(trifluoromethoxy)phenyl]imidazole

1-[2-nitro-4-(trifluoromethoxy)phenyl]imidazole (PubChem CID 59333320) has the molecular formula C10H6F3N3O3 and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-[2-nitro-4-(trifluoromethoxy)phenyl]imidazole.

Molecular Properties

Compound Name1-[2-nitro-4-(trifluoromethoxy)phenyl]imidazole
PubChem CID59333320
Molecular FormulaC10H6F3N3O3
Molecular Weight273.17 g/mol
Exact Mass273.04
IUPAC Name1-[2-nitro-4-(trifluoromethoxy)phenyl]imidazole
SMILESO=[N+]([O-])c1cc(OC(F)(F)F)ccc1-n1ccnc1
InChIInChI=1S/C10H6F3N3O3/c11-10(12,13)19-7-1-2-8(9(5-7)16(17)18)15-4-3-14-6-15/h1-6H
InChIKeySSRLRCRDOVRFNY-UHFFFAOYSA-N
XLogP2.68
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-nitro-4-(trifluoromethoxy)phenyl]imidazole?
The IUPAC name of 1-[2-nitro-4-(trifluoromethoxy)phenyl]imidazole (CID 59333320) is 1-[2-nitro-4-(trifluoromethoxy)phenyl]imidazole.
What is the SMILES notation for 1-[2-nitro-4-(trifluoromethoxy)phenyl]imidazole?
The canonical SMILES for 1-[2-nitro-4-(trifluoromethoxy)phenyl]imidazole is O=[N+]([O-])c1cc(OC(F)(F)F)ccc1-n1ccnc1.
What is the InChIKey of 1-[2-nitro-4-(trifluoromethoxy)phenyl]imidazole?
The InChIKey is SSRLRCRDOVRFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O3/c11-10(12,13)19-7-1-2-8(9(5-7)16(17)18)15-4-3-14-6-15/h1-6H.
What are the key properties of 1-[2-nitro-4-(trifluoromethoxy)phenyl]imidazole?
1-[2-nitro-4-(trifluoromethoxy)phenyl]imidazole has a molecular weight of 273.17 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-nitro-4-(trifluoromethoxy)phenyl]imidazole is sourced from PubChem (CID 59333320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).