2-(Trifluoromethyl)pyrimidine

C₅H₃F₃N₂CAS 116470-67-8148.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₃F₃N₂
Molar mass: 148.09 g/mol
Exact mass: 148.0248 Da
logP: 1.50Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

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

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

116470-67-8

SMILES

FC(F)(F)c1ncccn1

InChIKey

BQDJLAWUTBCDHK-UHFFFAOYSA-N

InChI

InChI=1S/C5H3F3N2/c6-5(7,8)4-9-2-1-3-10-4/h1-3H

Weigh it out

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

Names and synonyms

1 names

Pyrimidine, 2-(trifluoromethyl)-

Work with 2-(Trifluoromethyl)pyrimidine

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-(Trifluoromethyl)pyridine368-48-948 % similar 5-Bromo-2-(trifluoromethyl)pyrimidine799557-86-148 % similar 2,4,6-Tris(trifluoromethyl)-1,3,5-triazine368-66-145 % similar 2,3-Bis(trifluoromethyl)pyridine1644-68-444 % similar 2-Fluoro-3-(trifluoromethyl)pyridine65753-52-843 % similar 3-Fluoro-2-(trifluoromethyl)pyridine886510-21-043 % similar 2-Bromo-3-(trifluoromethyl)pyridine175205-82-041 % similar 2-Amino-3-(trifluoromethyl)pyridine183610-70-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook