(4-Fluoro-2-(trifluoromethyl)phenyl)methanamine

C₈H₇F₄NCAS 202522-22-3193.14 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₈H₇F₄N
Molar mass: 193.14 g/mol
Exact mass: 193.0515 Da
logP: 2.30Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H227 Combustible liquid16.7% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

202522-22-3

SMILES

C1=CC(=C(C=C1F)C(F)(F)F)CN

InChIKey

BLQGRYYLPWCHMA-UHFFFAOYSA-N

InChI

InChI=1S/C8H7F4N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H,4,13H2

Weigh it out

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

Names and synonyms

1 names

4-Fluoro-2-(trifluoromethyl)benzylamine

Work with (4-Fluoro-2-(trifluoromethyl)phenyl)methanamine

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-Fluoro-2-(trifluoromethyl)benzyl bromide206860-48-264 % similar 4-Fluoro-2-(trifluoromethyl)benzyl alcohol220227-29-264 % similar 4-Chloro-2-(trifluoromethyl)benzylamine771583-81-462 % similar 4-Fluoro-2-(trifluoromethyl)phenylacetonitrile80141-94-258 % similar 2-(Trifluoromethyl)benzylamine3048-01-956 % similar 2,4-Difluorobenzylamine72235-52-056 % similar 4-Fluoro-2-(trifluoromethyl)aniline393-39-555 % similar 4-Fluoro-2-(trifluoromethyl)benzeneacetic acid195447-80-454 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-5-(trifluoromethyl)benzenemethanamine150517-77-4 2-Fluoro-5-(trifluoromethyl)benzylamine199296-61-2 5-Fluoro-2-(trifluoromethyl)benzenemethanamine231291-14-8 3-Fluoro-4-(trifluoromethyl)benzylamine235106-09-9 2-Fluoro-4-(trifluoromethyl)benzylamine239087-05-9 2-Fluoro-6-(trifluoromethyl)benzylamine239087-06-0 2-Fluoro-3-(trifluoromethyl)benzylamine239135-49-0 [4-Fluoro-3-(trifluoromethyl)phenyl]methanamine67515-74-6

Elsewhere

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