[4-(trifluoromethoxy)anilino]azanium

C7H8F3N2O+ — CID 140653145

IUPAC[4-(trifluoromethoxy)anilino]azanium
SMILES[NH3+]Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)13-6-3-1-5(12-11)2-4-6/h1-4,12H,11H2/p+1
InChIKeyGWFWCTYACJWQKP-UHFFFAOYSA-O
MW193.15 g/mol
LogP1.15
Rot. Bonds2

About [4-(trifluoromethoxy)anilino]azanium

[4-(trifluoromethoxy)anilino]azanium (PubChem CID 140653145) has the molecular formula C7H8F3N2O+ and a molecular weight of 193.15 g/mol. Its IUPAC name is [4-(trifluoromethoxy)anilino]azanium.

Molecular Properties

Compound Name[4-(trifluoromethoxy)anilino]azanium
PubChem CID140653145
Molecular FormulaC7H8F3N2O+
Molecular Weight193.15 g/mol
Exact Mass193.06
IUPAC Name[4-(trifluoromethoxy)anilino]azanium
SMILES[NH3+]Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)13-6-3-1-5(12-11)2-4-6/h1-4,12H,11H2/p+1
InChIKeyGWFWCTYACJWQKP-UHFFFAOYSA-O
XLogP1.15
TPSA48.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(trifluoromethoxy)anilino]azanium 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

4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
N-fluoro-4-(trifluoromethoxy)aniline
CID 142989818
ethane;N-methyl-4-(trifluoromethoxy)aniline
CID 143206092
N-(methylideneamino)-4-(trifluoromethoxy)aniline
CID 155060711
N-(2,2-dimethylpropyl)-4-(trifluoromethoxy)aniline
CID 20786173
N-prop-1-enyl-4-(trifluoromethoxy)aniline
CID 173173563
N-[4-(trifluoromethoxy)phenyl]propane-2-sulfonamide
CID 62999818
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
(2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2316804
N'-tert-butyl-N-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107444522
1-amino-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 2732842

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethoxy)anilino]azanium?
The IUPAC name of [4-(trifluoromethoxy)anilino]azanium (CID 140653145) is [4-(trifluoromethoxy)anilino]azanium.
What is the SMILES notation for [4-(trifluoromethoxy)anilino]azanium?
The canonical SMILES for [4-(trifluoromethoxy)anilino]azanium is [NH3+]Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethoxy)anilino]azanium?
The InChIKey is GWFWCTYACJWQKP-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)13-6-3-1-5(12-11)2-4-6/h1-4,12H,11H2/p+1.
What are the key properties of [4-(trifluoromethoxy)anilino]azanium?
[4-(trifluoromethoxy)anilino]azanium has a molecular weight of 193.15 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethoxy)anilino]azanium is sourced from PubChem (CID 140653145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).