[2-fluoro-4-(trifluoromethyl)anilino]azanium chloride

C7H7ClF4N2 — CID 2774805

IUPAC[2-fluoro-4-(trifluoromethyl)anilino]azanium chloride
SMILES[Cl-].[NH3+]Nc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C7H6F4N2.ClH/c8-5-3-4(7(9,10)11)1-2-6(5)13-12;/h1-3,13H,12H2;1H
InChIKeyMKEPKMONQVYQDR-UHFFFAOYSA-N
MW230.59 g/mol
LogP-1.58
Rot. Bonds1

About [2-fluoro-4-(trifluoromethyl)anilino]azanium chloride

[2-fluoro-4-(trifluoromethyl)anilino]azanium chloride (PubChem CID 2774805) has the molecular formula C7H7ClF4N2 and a molecular weight of 230.59 g/mol. Its IUPAC name is [2-fluoro-4-(trifluoromethyl)anilino]azanium chloride.

Molecular Properties

Compound Name[2-fluoro-4-(trifluoromethyl)anilino]azanium chloride
PubChem CID2774805
Molecular FormulaC7H7ClF4N2
Molecular Weight230.59 g/mol
Exact Mass230.02
IUPAC Name[2-fluoro-4-(trifluoromethyl)anilino]azanium chloride
SMILES[Cl-].[NH3+]Nc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C7H6F4N2.ClH/c8-5-3-4(7(9,10)11)1-2-6(5)13-12;/h1-3,13H,12H2;1H
InChIKeyMKEPKMONQVYQDR-UHFFFAOYSA-N
XLogP-1.58
TPSA39.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.59
LogP ≤ 5-1.58
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 [2-fluoro-4-(trifluoromethyl)anilino]azanium chloride?
The IUPAC name of [2-fluoro-4-(trifluoromethyl)anilino]azanium chloride (CID 2774805) is [2-fluoro-4-(trifluoromethyl)anilino]azanium chloride.
What is the SMILES notation for [2-fluoro-4-(trifluoromethyl)anilino]azanium chloride?
The canonical SMILES for [2-fluoro-4-(trifluoromethyl)anilino]azanium chloride is [Cl-].[NH3+]Nc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of [2-fluoro-4-(trifluoromethyl)anilino]azanium chloride?
The InChIKey is MKEPKMONQVYQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2.ClH/c8-5-3-4(7(9,10)11)1-2-6(5)13-12;/h1-3,13H,12H2;1H.
What are the key properties of [2-fluoro-4-(trifluoromethyl)anilino]azanium chloride?
[2-fluoro-4-(trifluoromethyl)anilino]azanium chloride has a molecular weight of 230.59 g/mol, XLogP of -1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(trifluoromethyl)anilino]azanium chloride is sourced from PubChem (CID 2774805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).