4-Amino-2,5-difluorobenzotrifluoride

C₇H₄F₅NCAS 114973-22-7197.11 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₇H₄F₅N
Molar mass: 197.11 g/mol
Exact mass: 197.0264 Da
logP: 2.57Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% 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 irritation20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

114973-22-7

SMILES

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

InChIKey

FPEXXFHBKBTGJL-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F5N/c8-4-2-6(13)5(9)1-3(4)7(10,11)12/h1-2H,13H2

Weigh it out

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

Work with 4-Amino-2,5-difluorobenzotrifluoride

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-Bromo-2-fluoro-5-(trifluoromethyl)benzenamine104460-70-061 % similar 2-Bromo-4-fluoro-5-(trifluoromethyl)aniline193090-60-761 % similar 2,4,5-Trifluoroaniline367-34-056 % similar 4-Fluoro-3-(trifluoromethyl)aniline2357-47-352 % similar 2-Fluoro-5-(trifluoromethyl)aniline535-52-452 % similar 2-Fluoro-4-(trifluoromethyl)aniline69409-98-952 % similar 3-Fluoro-4-(trifluoromethyl)aniline69411-68-352 % similar 4,5-Difluoro-1,2-phenylenediamine76179-40-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Difluoro-4-(trifluoromethyl)benzenamine123950-44-7 2.3-Difluoro 4-trifluoromethoxyaniline123950-46-9 2,4-Difluoro-5-(trifluoromethyl)aniline261944-56-3

Elsewhere

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