2-Amino-5-(trifluoromethyl)phenol

C₇H₆F₃NOCAS 454-82-0177.13 g/mol

Open in Covalent MOL file

Alkyl halide Phenol Primary amine

Properties

Molecular formula: C₇H₆F₃NO
Molar mass: 177.13 g/mol
Exact mass: 177.0401 Da
Melting point: 114–115 °C
logP: 1.99Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Identifiers

CAS number

454-82-0

SMILES

Nc1ccc(C(F)(F)F)cc1O

InChIKey

ILZRAAUVZAXXKZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F3NO/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3,12H,11H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

Phenol, 2-amino-5-(trifluoromethyl)-
m-Cresol, 6-amino-α,α,α-trifluoro-
2-Hydroxy-4-(trifluoromethyl)aniline

Work with 2-Amino-5-(trifluoromethyl)phenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-4-trifluoromethylaniline39885-50-256 % similar 2-Bromo-4-trifluoromethylaniline57946-63-156 % similar 3,3′-Dihydroxy-4,4′-diaminobiphenyl2373-98-052 % similar 2-Amino-5-fluorophenol53981-24-152 % similar 2-Iodo-5-(trifluoromethyl)aniline105202-02-652 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-652 % similar 2-Bromo-5-trifluoromethylaniline454-79-552 % similar 2-Hydroxy-4-(trifluoromethyl)benzoic acid328-90-549 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methoxy-3-(trifluoromethyl)pyridine121643-44-5 3-(Trifluoromethoxy)aniline1535-73-5 2-Trifluoromethoxyaniline1535-75-7 2-Methoxy-5-(trifluoromethyl)pyridine175277-45-9 5-Methoxy-2-(trifluoromethyl)pyridine216766-13-1 4-(Trifluoromethoxy)aniline461-82-5

Elsewhere

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