5-Amino-2-methoxybenzotrifluoride

C₈H₈F₃NOCAS 393-15-7191.15 g/mol

Open in Covalent MOL file

Alkyl halide Ether Primary amine

Properties

Molecular formula: C₈H₈F₃NO
Molar mass: 191.15 g/mol
Exact mass: 191.0558 Da
logP: 2.30Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed85.7% of notifiers
H312 Harmful in contact with skin71.4% of notifiers
H315 Causes skin irritation85.7% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H332 Harmful if inhaled71.4% of notifiers
H335 May cause respiratory irritation85.7% of notifiers
H412 Harmful to aquatic life with long lasting effects14.3% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

393-15-7

SMILES

COC1=C(C=C(C=C1)N)C(F)(F)F

InChIKey

CQJCPOVTPNWVBW-UHFFFAOYSA-N

InChI

InChI=1S/C8H8F3NO/c1-13-7-3-2-5(12)4-6(7)8(9,10)11/h2-4H,12H2,1H3

Weigh it out

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

Work with 5-Amino-2-methoxybenzotrifluoride

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

4,4'-Oxybis[3-(trifluoromethyl)aniline]344-48-971 % similar 4,4′-[1,4-Phenylenebis(oxy)]bis[3-(trifluoromethyl)benzenamine]94525-05-065 % similar 4-Bromo-1-methoxy-2-(trifluoromethyl)benzene1514-11-060 % similar 2-(Trifluoromethyl)benzene-1,4-diamine364-13-659 % similar 3,4-Dimethoxyaniline6315-89-558 % similar 2,2'-Bis(trifluoromethyl)benzidine341-58-256 % similar 2,4-Diaminoanisole615-05-456 % similar 3-Fluoro-4-methoxyaniline366-99-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2-(Trifluoromethoxy)phenyl)methanamine175205-64-8 N-Methyl-2-(trifluoromethoxy)aniline175278-04-3 5-(Trifluoromethyl)-m-anisidine349-55-3 2-Methoxy-5-(trifluoromethyl)aniline349-65-5 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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