1-methanidyl-4-(trifluoromethyl)-1H-imidazol-1-ium

C5H5F3N2 — CID 147696049

IUPAC1-methanidyl-4-(trifluoromethyl)-1H-imidazol-1-ium
SMILES[CH2-][NH+]1C=NC(C(F)(F)F)=C1
InChIInChI=1S/C5H5F3N2/c1-10-2-4(9-3-10)5(6,7)8/h2-3,10H,1H2
InChIKeyGRXNYYRCQDSARJ-UHFFFAOYSA-N
MW150.10 g/mol
LogP0.11
Rot. Bonds

About 1-methanidyl-4-(trifluoromethyl)-1H-imidazol-1-ium

1-methanidyl-4-(trifluoromethyl)-1H-imidazol-1-ium (PubChem CID 147696049) has the molecular formula C5H5F3N2 and a molecular weight of 150.10 g/mol. Its IUPAC name is 1-methanidyl-4-(trifluoromethyl)-1H-imidazol-1-ium.

Molecular Properties

Compound Name1-methanidyl-4-(trifluoromethyl)-1H-imidazol-1-ium
PubChem CID147696049
Molecular FormulaC5H5F3N2
Molecular Weight150.10 g/mol
Exact Mass150.04
IUPAC Name1-methanidyl-4-(trifluoromethyl)-1H-imidazol-1-ium
SMILES[CH2-][NH+]1C=NC(C(F)(F)F)=C1
InChIInChI=1S/C5H5F3N2/c1-10-2-4(9-3-10)5(6,7)8/h2-3,10H,1H2
InChIKeyGRXNYYRCQDSARJ-UHFFFAOYSA-N
XLogP0.11
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methanidyl-4-(trifluoromethyl)-1H-imidazol-1-ium?
The IUPAC name of 1-methanidyl-4-(trifluoromethyl)-1H-imidazol-1-ium (CID 147696049) is 1-methanidyl-4-(trifluoromethyl)-1H-imidazol-1-ium.
What is the SMILES notation for 1-methanidyl-4-(trifluoromethyl)-1H-imidazol-1-ium?
The canonical SMILES for 1-methanidyl-4-(trifluoromethyl)-1H-imidazol-1-ium is [CH2-][NH+]1C=NC(C(F)(F)F)=C1.
What is the InChIKey of 1-methanidyl-4-(trifluoromethyl)-1H-imidazol-1-ium?
The InChIKey is GRXNYYRCQDSARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2/c1-10-2-4(9-3-10)5(6,7)8/h2-3,10H,1H2.
What are the key properties of 1-methanidyl-4-(trifluoromethyl)-1H-imidazol-1-ium?
1-methanidyl-4-(trifluoromethyl)-1H-imidazol-1-ium has a molecular weight of 150.10 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-4-(trifluoromethyl)-1H-imidazol-1-ium is sourced from PubChem (CID 147696049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).