2-nitro-1-(2,2,3,3-tetrafluoropentyl)imidazole

C8H9F4N3O2 — CID 89204498

IUPAC2-nitro-1-(2,2,3,3-tetrafluoropentyl)imidazole
SMILESCCC(F)(F)C(F)(F)Cn1ccnc1[N+](=O)[O-]
InChIInChI=1S/C8H9F4N3O2/c1-2-7(9,10)8(11,12)5-14-4-3-13-6(14)15(16)17/h3-4H,2,5H2,1H3
InChIKeyCLFSEWDXSJGLQV-UHFFFAOYSA-N
MW255.17 g/mol
LogP2.47
Rot. Bonds5

About 2-nitro-1-(2,2,3,3-tetrafluoropentyl)imidazole

2-nitro-1-(2,2,3,3-tetrafluoropentyl)imidazole (PubChem CID 89204498) has the molecular formula C8H9F4N3O2 and a molecular weight of 255.17 g/mol. Its IUPAC name is 2-nitro-1-(2,2,3,3-tetrafluoropentyl)imidazole.

Molecular Properties

Compound Name2-nitro-1-(2,2,3,3-tetrafluoropentyl)imidazole
PubChem CID89204498
Molecular FormulaC8H9F4N3O2
Molecular Weight255.17 g/mol
Exact Mass255.06
IUPAC Name2-nitro-1-(2,2,3,3-tetrafluoropentyl)imidazole
SMILESCCC(F)(F)C(F)(F)Cn1ccnc1[N+](=O)[O-]
InChIInChI=1S/C8H9F4N3O2/c1-2-7(9,10)8(11,12)5-14-4-3-13-6(14)15(16)17/h3-4H,2,5H2,1H3
InChIKeyCLFSEWDXSJGLQV-UHFFFAOYSA-N
XLogP2.47
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.17
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-nitro-1-(2,2,3,3-tetrafluoropentyl)imidazole?
The IUPAC name of 2-nitro-1-(2,2,3,3-tetrafluoropentyl)imidazole (CID 89204498) is 2-nitro-1-(2,2,3,3-tetrafluoropentyl)imidazole.
What is the SMILES notation for 2-nitro-1-(2,2,3,3-tetrafluoropentyl)imidazole?
The canonical SMILES for 2-nitro-1-(2,2,3,3-tetrafluoropentyl)imidazole is CCC(F)(F)C(F)(F)Cn1ccnc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-1-(2,2,3,3-tetrafluoropentyl)imidazole?
The InChIKey is CLFSEWDXSJGLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3O2/c1-2-7(9,10)8(11,12)5-14-4-3-13-6(14)15(16)17/h3-4H,2,5H2,1H3.
What are the key properties of 2-nitro-1-(2,2,3,3-tetrafluoropentyl)imidazole?
2-nitro-1-(2,2,3,3-tetrafluoropentyl)imidazole has a molecular weight of 255.17 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-1-(2,2,3,3-tetrafluoropentyl)imidazole is sourced from PubChem (CID 89204498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).