chempirical

1-(3-Trifluoromethylphenyl)imidazole

C10H7F3N2CAS 25371-97-5212.18 g/mol

Open in Covalent MOL file
NNFFF
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 2 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
25371-97-5
SMILES
C1=CC(=CC(=C1)N2C=CN=C2)C(F)(F)F
InChIKey
KZVUPVJLOACZIL-UHFFFAOYSA-N
InChI
InChI=1S/C10H7F3N2/c11-10(12,13)8-2-1-3-9(6-8)15-5-4-14-7-15/h1-7H

Weigh it out

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

Work with 1-(3-Trifluoromethylphenyl)imidazole

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-(3-Fluorophenyl)imidazole25372-42-361 % similar 1-Phenylimidazole7164-98-953 % similar 1-(3-Trifluoromethylphenyl)imidazoline-2-thione17452-08-351 % similar 1,3,5-Tri(1H-imidazol-1-yl)benzene528543-96-648 % similar 3-(1H-Imidazol-1-yl)benzoic acid108035-47-848 % similar 3,5-Bis(trifluoromethyl)benzene402-31-347 % similar 1-(4-Fluorophenyl)imidazole21441-24-745 % similar 4,4'-Di(1H-imidazol-1-yl)-1,1'-biphenyl855766-92-644 % 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 TRIM25371-96-4 1-(4-Trifluoromethylphenyl)imidazole25371-98-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook