TRIM

C10H7F3N2CAS 25371-96-4212.18 g/mol

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FFFNN
Alkyl halide

Properties

Molecular formula
C10H7F3N2
Molar mass
212.18 g/mol
Exact mass
212.0561 Da
logP
2.89Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
25371-96-4
SMILES
FC(F)(F)c1ccccc1-n1ccnc1
InChIKey
WZBWBNCQUTXYEL-UHFFFAOYSA-N
InChI
InChI=1S/C10H7F3N2/c11-10(12,13)8-3-1-2-4-9(8)15-6-5-14-7-15/h1-7H

Weigh it out

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

Names and synonyms

4 names
  • 1H-Imidazole, 1-[2-(trifluoromethyl)phenyl]-
  • Imidazole, 1-(α,α,α-trifluoro-o-tolyl)-
  • 1-[2-(Trifluoromethyl)phenyl]-1H-imidazole
  • 1-(2-Trifluoromethylphenyl)imidazole

Work with TRIM

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

1-(2-Chlorophenyl)imidazole51581-50-153 % similar 1,3-Dihydro-1-(2-(trifluoromethyl)phenyl)-2H-imidazole-2-thione25372-17-249 % similar 1-Phenylimidazole7164-98-947 % similar 1,2,4,5-Tetra(1H-imidazol-1-yl)benzene1220714-37-347 % similar 2-(1H-Imidazol-1-yl)benzoic acid159589-67-045 % similar 1,2-Bis(trifluoromethyl)benzene433-95-443 % similar 2-(Trifluoromethyl)benzenethiol13333-97-640 % similar 1-(3-Fluorophenyl)imidazole25372-42-340 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-7-(trifluoromethyl)quinoline243666-11-7 4-Amino-8-(trifluoromethyl)quinoline243977-15-3 1-(3-Trifluoromethylphenyl)imidazole25371-97-5 1-(4-Trifluoromethylphenyl)imidazole25371-98-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook