[5-(fluoromethyl)-1-methylimidazol-2-yl]-hydroxyazanium

C5H9FN3O+ — CID 165113323

IUPAC[5-(fluoromethyl)-1-methylimidazol-2-yl]-hydroxyazanium
SMILESCn1c(CF)cnc1[NH2+]O
InChIInChI=1S/C5H8FN3O/c1-9-4(2-6)3-7-5(9)8-10/h3,10H,2H2,1H3,(H,7,8)/p+1
InChIKeyLFQHOUKHQDESQB-UHFFFAOYSA-O
MW146.14 g/mol
LogP-0.53
Rot. Bonds2

About [5-(fluoromethyl)-1-methylimidazol-2-yl]-hydroxyazanium

[5-(fluoromethyl)-1-methylimidazol-2-yl]-hydroxyazanium (PubChem CID 165113323) has the molecular formula C5H9FN3O+ and a molecular weight of 146.14 g/mol. Its IUPAC name is [5-(fluoromethyl)-1-methylimidazol-2-yl]-hydroxyazanium.

Molecular Properties

Compound Name[5-(fluoromethyl)-1-methylimidazol-2-yl]-hydroxyazanium
PubChem CID165113323
Molecular FormulaC5H9FN3O+
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name[5-(fluoromethyl)-1-methylimidazol-2-yl]-hydroxyazanium
SMILESCn1c(CF)cnc1[NH2+]O
InChIInChI=1S/C5H8FN3O/c1-9-4(2-6)3-7-5(9)8-10/h3,10H,2H2,1H3,(H,7,8)/p+1
InChIKeyLFQHOUKHQDESQB-UHFFFAOYSA-O
XLogP-0.53
TPSA54.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(fluoromethyl)-1-methylimidazol-2-yl]-hydroxyazanium?
The IUPAC name of [5-(fluoromethyl)-1-methylimidazol-2-yl]-hydroxyazanium (CID 165113323) is [5-(fluoromethyl)-1-methylimidazol-2-yl]-hydroxyazanium.
What is the SMILES notation for [5-(fluoromethyl)-1-methylimidazol-2-yl]-hydroxyazanium?
The canonical SMILES for [5-(fluoromethyl)-1-methylimidazol-2-yl]-hydroxyazanium is Cn1c(CF)cnc1[NH2+]O.
What is the InChIKey of [5-(fluoromethyl)-1-methylimidazol-2-yl]-hydroxyazanium?
The InChIKey is LFQHOUKHQDESQB-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H8FN3O/c1-9-4(2-6)3-7-5(9)8-10/h3,10H,2H2,1H3,(H,7,8)/p+1.
What are the key properties of [5-(fluoromethyl)-1-methylimidazol-2-yl]-hydroxyazanium?
[5-(fluoromethyl)-1-methylimidazol-2-yl]-hydroxyazanium has a molecular weight of 146.14 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(fluoromethyl)-1-methylimidazol-2-yl]-hydroxyazanium is sourced from PubChem (CID 165113323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).