2-Methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]benzenamine

C₁₀H₈F₇NCAS 238098-26-5275.17 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₁₀H₈F₇N
Molar mass: 275.17 g/mol
Exact mass: 275.0545 Da
logP: 3.87Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H360 May damage fertility or the unborn child100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P270, P273, P280, P301+P317, P318, P319, P330, P391, P405, P501

Identifiers

CAS number

238098-26-5

SMILES

Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1N

InChIKey

QVAUOEHPYOFAQA-UHFFFAOYSA-N

InChI

InChI=1S/C10H8F7N/c1-5-4-6(2-3-7(5)18)8(11,9(12,13)14)10(15,16)17/h2-4H,18H2,1H3

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

Names and synonyms

7 names

Benzenamine, 2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-
2-Methyl-4-heptafluoroisopropylaniline
2-Methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]aniline
4-Heptafluoroisopropyl-2-methylaniline
2-Methyl-4-(perfluoropropan-2-yl)benzenamine
2-Methyl-4-(heptafluoropropan-2-yl)-aniline
4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methylaniline

Work with 2-Methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]benzenamine

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-Amino-3-methylbenzotrifluoride67169-22-666 % similar 2,2-Bis(3-amino-4-methylphenyl)hexafluoropropane116325-74-753 % similar 2-Methyl-4-(trifluoromethoxy)aniline86256-59-951 % similar 9,9-Bis(4-amino-3-methylphenyl)fluorene107934-60-149 % similar 4-(Heptafluoroisopropyl)toluene2396-26-148 % similar 2-Methyl-5-(trifluoromethyl)aniline25449-96-147 % similar 4-Fluoro-2-methylaniline452-71-147 % similar Tolidine119-93-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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