2-Fluoro-6-(trifluoromethyl)benzylamine

C₈H₇F₄NCAS 239087-06-0193.14 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 liquid14.3% of notifiers
H314 Causes severe skin burns and eye damage85.7% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

239087-06-0

SMILES

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

InChIKey

FCYVKQRWNQRCFE-UHFFFAOYSA-N

InChI

InChI=1S/C8H7F4N/c9-7-3-1-2-6(5(7)4-13)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

(2-Fluoro-6-(trifluoromethyl)phenyl)methanamine

Work with 2-Fluoro-6-(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

2,6-Difluorobenzylamine69385-30-464 % similar 2-Fluoro-6-(trifluoromethyl)benzyl alcohol152211-15-964 % similar 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene239087-08-264 % similar 2-Fluoro-6-(trifluoromethyl)phenylacetonitrile179946-34-058 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-558 % similar 2-Fluoro-6-(trifluoromethyl)aniline144851-61-655 % similar 2-Chloro-6-fluorobenzenemethanamine15205-15-955 % similar 2-Amino-6-fluorobenzylamine175277-93-755 % 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 (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-3-(trifluoromethyl)benzylamine239135-49-0 [4-Fluoro-3-(trifluoromethyl)phenyl]methanamine67515-74-6

Elsewhere

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