[4-(trifluoromethyl)anilino]azanium chloride

C7H8ClF3N2 — CID 2777644

IUPAC[4-(trifluoromethyl)anilino]azanium chloride
SMILES[Cl-].[NH3+]Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H7F3N2.ClH/c8-7(9,10)5-1-3-6(12-11)4-2-5;/h1-4,12H,11H2;1H
InChIKeyWCAGNYIHAYOPSE-UHFFFAOYSA-N
MW212.60 g/mol
LogP-1.72
Rot. Bonds1

About [4-(trifluoromethyl)anilino]azanium chloride

[4-(trifluoromethyl)anilino]azanium chloride (PubChem CID 2777644) has the molecular formula C7H8ClF3N2 and a molecular weight of 212.60 g/mol. Its IUPAC name is [4-(trifluoromethyl)anilino]azanium chloride.

Molecular Properties

Compound Name[4-(trifluoromethyl)anilino]azanium chloride
PubChem CID2777644
Molecular FormulaC7H8ClF3N2
Molecular Weight212.60 g/mol
Exact Mass212.03
IUPAC Name[4-(trifluoromethyl)anilino]azanium chloride
SMILES[Cl-].[NH3+]Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H7F3N2.ClH/c8-7(9,10)5-1-3-6(12-11)4-2-5;/h1-4,12H,11H2;1H
InChIKeyWCAGNYIHAYOPSE-UHFFFAOYSA-N
XLogP-1.72
TPSA39.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.60
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 [4-(trifluoromethyl)anilino]azanium chloride?
The IUPAC name of [4-(trifluoromethyl)anilino]azanium chloride (CID 2777644) is [4-(trifluoromethyl)anilino]azanium chloride.
What is the SMILES notation for [4-(trifluoromethyl)anilino]azanium chloride?
The canonical SMILES for [4-(trifluoromethyl)anilino]azanium chloride is [Cl-].[NH3+]Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)anilino]azanium chloride?
The InChIKey is WCAGNYIHAYOPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2.ClH/c8-7(9,10)5-1-3-6(12-11)4-2-5;/h1-4,12H,11H2;1H.
What are the key properties of [4-(trifluoromethyl)anilino]azanium chloride?
[4-(trifluoromethyl)anilino]azanium chloride has a molecular weight of 212.60 g/mol, XLogP of -1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)anilino]azanium chloride is sourced from PubChem (CID 2777644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).