2-Fluoro-5-(trifluoromethyl)benzylamine

C₈H₇F₄NCAS 199296-61-2193.14 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

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage14.3% of notifiers

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

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

199296-61-2

SMILES

C1=CC(=C(C=C1C(F)(F)F)CN)F

InChIKey

WIQWADYBGSRGCF-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Fluoro-5-(trifluoromethyl)benzylamine

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-Fluoro-5-(trifluoromethyl)benzyl alcohol207974-09-264 % similar 2-(Bromomethyl)-1-fluoro-4-(trifluoromethyl)benzene220239-69-064 % similar 2-Fluoro-5-(trifluoromethyl)phenylacetonitrile220227-59-858 % similar 1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-257 % similar 2,5-Difluorobenzenemethanamine85118-06-556 % similar 2-Fluoro-5-(trifluoromethyl)aniline535-52-455 % similar 5-Chloro-2-fluorobenzylamine261723-26-653 % similar 2-Fluoro-5-(trifluoromethyl)phenol141483-15-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-5-(trifluoromethyl)benzenemethanamine150517-77-4 (4-Fluoro-2-(trifluoromethyl)phenyl)methanamine202522-22-3 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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