2-Fluoro-3-trifluoromethoxy aniline

C₇H₅F₄NOCAS 116369-23-4195.12 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether Primary amine

Properties

Molecular formula: C₇H₅F₄NO
Molar mass: 195.12 g/mol
Exact mass: 195.0307 Da
logP: 2.31Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H302+H332 Harmful if swallowed or if inhaled28.6% of notifiers
H302 Harmful if swallowed100% of notifiers
H311 Toxic in contact with skin85.7% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation28.6% of notifiers

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

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

116369-23-4

SMILES

C1=CC(=C(C=C1OC(F)(F)F)N)F

InChIKey

HQUWXEXDIIWBBY-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F4NO/c8-5-2-1-4(3-6(5)12)13-7(9,10)11/h1-3H,12H2

Weigh it out

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

Names and synonyms

1 names

2-Fluoro-5-(trifluoromethoxy)aniline

Work with 2-Fluoro-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

2-Bromo-5-(trifluoromethoxy)aniline887267-47-262 % similar 1-Bromo-2-fluoro-5-(trifluoromethoxy)benzene286932-57-859 % similar 2-Bromo-4-(trifluoromethoxy)aniline175278-17-857 % similar 2-Chloro-4-(trifluoromethoxy)aniline69695-61-057 % similar 2-Methyl-4-(trifluoromethoxy)aniline86256-59-957 % similar 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene168971-68-454 % similar 2-Fluoro-5-(trifluoromethoxy)benzaldehyde886497-81-054 % similar 4-(Trifluoromethoxy)aniline461-82-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-4-(trifluoromethoxy)aniline1017779-69-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook