2-Fluoro-6-(trifluoromethyl)aniline

C₇H₅F₄NCAS 144851-61-6179.12 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₇H₅F₄N
Molar mass: 179.12 g/mol
Exact mass: 179.0358 Da
logP: 2.43Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin91.1% 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 irritation88.9% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

144851-61-6

SMILES

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

InChIKey

CQSFHEFEKDRLKE-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F4N/c8-5-3-1-2-4(6(5)12)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-Amino-3-fluorobenzotrifluoride

Work with 2-Fluoro-6-(trifluoromethyl)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-Chloro-6-(trifluoromethyl)benzenamine433-94-360 % similar 2,6-Difluoroaniline5509-65-960 % similar 2-Fluorobenzotrifluoride392-85-859 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-559 % similar 2-Bromo-3-fluorobenzotrifluoride104540-42-355 % similar 2-Fluoro-6-(trifluoromethyl)benzylamine239087-06-055 % similar 2-Amino-3-(trifluoromethyl)benzonitrile58458-14-353 % similar 2-Fluoro-6-(trifluoromethyl)benzonitrile133116-83-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-6-fluorobenzotrifluoride123973-22-8 2-Fluoro-3-(trifluoromethyl)aniline123973-25-1 4-Fluoro-3-(trifluoromethyl)aniline2357-47-3 4-Fluoro-2-(trifluoromethyl)aniline393-39-5 3-Fluoro-5-trifluoromethylaniline454-67-1 2-Fluoro-5-(trifluoromethyl)aniline535-52-4 2-Fluoro-4-(trifluoromethyl)aniline69409-98-9 3-Fluoro-4-(trifluoromethyl)aniline69411-68-3

Elsewhere

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