3-(Trifluoromethoxy)aniline

C₇H₆F₃NOCAS 1535-73-5177.13 g/mol

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Alkyl halide Ether Primary amine

Properties

Molecular formula: C₇H₆F₃NO
Molar mass: 177.13 g/mol
Exact mass: 177.0401 Da
Density: 1.3254 g/mL (at 20 °C)
Boiling point: 72–73 °C (at 8 Torr)
logP: 2.17Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

1535-73-5

SMILES

Nc1cccc(OC(F)(F)F)c1

InChIKey

SADHVOSOZBAAGL-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

7 names

Benzenamine, 3-(trifluoromethoxy)-
m-Anisidine, α,α,α-trifluoro-
3-(Trifluoromethoxy)benzenamine
m-(Trifluoromethoxy)aniline
(3-(Trifluoromethoxy)phenyl)amine
3-[(Trifluoromethyl)oxy]aniline
1-Trifluoromethoxy-3-aminobenzene

Work with 3-(Trifluoromethoxy)aniline

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-(1,1,2,2-Tetrafluoroethoxy)benzenamine831-75-464 % similar 3-(Trifluoromethoxy)fluorobenzene1077-01-660 % similar 3-(Trifluoromethoxy)benzenethiol220239-66-758 % similar 3,3′-Diaminodiphenyl ether15268-07-257 % similar 1-Bromo-3-(trifluoromethoxy)benzene2252-44-056 % similar 1,3-Bis(3-aminophenoxy)benzene10526-07-555 % similar (Trifluoromethoxy)benzene456-55-354 % similar 3-Phenoxybenzenamine3586-12-752 % similar

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

Same formula

2-Methoxy-3-(trifluoromethyl)pyridine121643-44-5 2-Trifluoromethoxyaniline1535-75-7 2-Methoxy-5-(trifluoromethyl)pyridine175277-45-9 5-Methoxy-2-(trifluoromethyl)pyridine216766-13-1 2-Amino-5-(trifluoromethyl)phenol454-82-0 4-(Trifluoromethoxy)aniline461-82-5

Elsewhere

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