N-Methyl-2-(trifluoromethoxy)aniline

C8H8F3NOCAS 175278-04-3191.15 g/mol

Open in Covalent MOL file
HNOFFF
Alkyl halideEtherSecondary amine

Properties

Molecular formula
C8H8F3NO
Molar mass
191.15 g/mol
Exact mass
191.0558 Da
logP
2.63Crippen estimate
Polar surface area
21.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number
175278-04-3
SMILES
CNC1=CC=CC=C1OC(F)(F)F
InChIKey
VMEUCSINSIZDPO-UHFFFAOYSA-N
InChI
InChI=1S/C8H8F3NO/c1-12-6-4-2-3-5-7(6)13-8(9,10)11/h2-5,12H,1H3

Weigh it out

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

Work with N-Methyl-2-(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

N-Ethyl-2-(trifluoromethoxy)aniline175278-25-862 % similar 2-Methoxy-N-methyaniline10541-78-355 % similar 1-Fluoro-2-(trifluoromethoxy)benzene2106-18-552 % similar 2-(Trifluoromethoxy)bromobenzene64115-88-450 % similar N-Methyl-2-(trifluoromethyl)benzenamine14925-10-148 % similar 2-Trifluoromethoxyaniline1535-75-748 % similar 1-Iodo-2-(trifluoromethoxy)benzene175278-00-948 % similar 2-(Trifluoromethoxy)thiophenol175278-01-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2-(Trifluoromethoxy)phenyl)methanamine175205-64-8 5-(Trifluoromethyl)-m-anisidine349-55-3 2-Methoxy-5-(trifluoromethyl)aniline349-65-5 5-Amino-2-methoxybenzotrifluoride393-15-7 N-Methyl-4-(trifluoromethoxy)aniline41419-59-4 4-Methoxy-2-(trifluoromethyl)aniline53903-49-4 2-Methyl-4-(trifluoromethoxy)aniline86256-59-9 3-(Trifluoromethoxy)benzylamine93071-75-1

Elsewhere

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