2-Amino-5-(trifluoromethyl)phenol

C7H6F3NOCAS 454-82-0177.13 g/mol

Open in Covalent MOL file
H2NFFFHO
Alkyl halidePhenolPrimary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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

3,4-Diaminobenzotrifluoride368-71-864 % similar 2,4-Bis(trifluoromethyl)aniline367-71-560 % similar 2-Fluoro-5-(trifluoromethyl)phenol141483-15-058 % similar 2-Fluoro-4-(trifluoromethyl)aniline69409-98-958 % similar 2-Iodo-4-(trifluoromethyl)aniline163444-17-556 % similar 2-Chloro-4-trifluoromethylaniline39885-50-256 % similar 2-Bromo-5-(trifluoromethyl)phenol402-05-156 % similar 2-Chloro-5-(trifluoromethyl)phenol40889-91-656 % 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 6-Methyl-4-(trifluoromethyl)-2(1H)-pyridone22123-19-9 6-(Trifluoromethyl)pyridine-3-methanol386704-04-7 4-(Trifluoromethoxy)aniline461-82-5

Elsewhere

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