[4-(trifluoromethyl)phenyl]methoxyazanium

C8H9F3NO+ — CID 3744378

IUPAC[4-(trifluoromethyl)phenyl]methoxyazanium
SMILES[NH3+]OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H9F3NO/c9-8(10,11)7-3-1-6(2-4-7)5-13-12/h1-4H,5H2,12H3/q+1
InChIKeyIVILRVQBDBNASG-UHFFFAOYSA-N
MW192.16 g/mol
LogP1.38
Rot. Bonds2

About [4-(trifluoromethyl)phenyl]methoxyazanium

[4-(trifluoromethyl)phenyl]methoxyazanium (PubChem CID 3744378) has the molecular formula C8H9F3NO+ and a molecular weight of 192.16 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]methoxyazanium.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]methoxyazanium
PubChem CID3744378
Molecular FormulaC8H9F3NO+
Molecular Weight192.16 g/mol
Exact Mass192.06
IUPAC Name[4-(trifluoromethyl)phenyl]methoxyazanium
SMILES[NH3+]OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H9F3NO/c9-8(10,11)7-3-1-6(2-4-7)5-13-12/h1-4H,5H2,12H3/q+1
InChIKeyIVILRVQBDBNASG-UHFFFAOYSA-N
XLogP1.38
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-(trifluoromethyl)phenyl]methoxyazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
(1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
CID 162576270
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400
2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid
CID 69381817
7-[[4-(trifluoromethyl)phenyl]methoxy]bicyclo[2.2.1]hept-2-ene
CID 101131304
1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene
CID 162563157
bis[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 102517690
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
1-tert-butyl-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]benzene
CID 69208043
2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine
CID 105348964
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl]methoxyazanium?
The IUPAC name of [4-(trifluoromethyl)phenyl]methoxyazanium (CID 3744378) is [4-(trifluoromethyl)phenyl]methoxyazanium.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]methoxyazanium?
The canonical SMILES for [4-(trifluoromethyl)phenyl]methoxyazanium is [NH3+]OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]methoxyazanium?
The InChIKey is IVILRVQBDBNASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3NO/c9-8(10,11)7-3-1-6(2-4-7)5-13-12/h1-4H,5H2,12H3/q+1.
What are the key properties of [4-(trifluoromethyl)phenyl]methoxyazanium?
[4-(trifluoromethyl)phenyl]methoxyazanium has a molecular weight of 192.16 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]methoxyazanium is sourced from PubChem (CID 3744378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).