chempirical

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

C10H8F7NCAS 238098-26-5275.17 g/mol

Open in Covalent MOL file
FFFFFFFH2N
Alkyl halidePrimary 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

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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Names and synonyms

6 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

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

2,2-Bis(3-amino-4-methylphenyl)hexafluoropropane116325-74-753 % similar 9,9-Bis(4-amino-3-methylphenyl)fluorene107934-60-149 % similar 4-Fluoro-2-methylaniline452-71-147 % similar Tolidine119-93-747 % similar 1,1′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[3,4-dimethylbenzene]65294-20-446 % similar 2,4-Xylidine95-68-145 % similar 2,5-Diaminotoluene95-70-545 % similar 2,5-Dimethyl-P-phenylenediamine6393-01-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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