2-Amino-6-fluorobenzotrifluoride

C₇H₅F₄NCAS 123973-22-8179.12 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

Danger

H302 Harmful if swallowed100% of notifiers
H311 Toxic 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

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, P501

Identifiers

CAS number

123973-22-8

SMILES

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

InChIKey

SJMDWKFHBPDEQT-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F4N/c8-4-2-1-3-5(12)6(4)7(9,10)11/h1-3H,12H2

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

Names and synonyms

1 names

3-Fluoro-2-(trifluoromethyl)aniline

Work with 2-Amino-6-fluorobenzotrifluoride

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

3-Chloro-2-(trifluoromethyl)aniline432-21-360 % similar 1-Bromo-3-fluoro-2-(trifluoromethyl)benzene261951-85-357 % similar 2-Fluoroaniline348-54-952 % similar 2,3-Difluoroaniline4519-40-852 % similar 2-Chloro-3-fluorobenzenamine21397-08-050 % similar 3-Fluoro-2-methylaniline443-86-750 % similar 2-Bromo-3-fluoroaniline111721-75-648 % similar 2-Amino-6-fluorophenol53981-25-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-3-(trifluoromethyl)aniline123973-25-1 2-Fluoro-6-(trifluoromethyl)aniline144851-61-6 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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