4,5,6-Trifluoropyrimidine

C₄HF₃N₂CAS 17573-78-3134.06 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₄HF₃N₂
Molar mass: 134.06 g/mol
Exact mass: 134.0092 Da
logP: 0.89Crippen 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 damage10.6% of notifiers
H315 Causes skin irritation89.4% of notifiers
H319 Causes serious eye irritation87.2% of notifiers
H335 May cause respiratory irritation91.5% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

17573-78-3

SMILES

C1=NC(=C(C(=N1)F)F)F

InChIKey

AQKOJKCYBNUFLU-UHFFFAOYSA-N

InChI

InChI=1S/C4HF3N2/c5-2-3(6)8-1-9-4(2)7/h1H

Weigh it out

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

Work with 4,5,6-Trifluoropyrimidine

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

5-Fluoropyrimidine-4,6-diol106615-61-645 % similar 4,6-Dichloro-5-fluoropyrimidine213265-83-945 % similar 2,3-Difluoro-4-iodopyridine851386-34-042 % similar Pentafluoropyridine700-16-340 % similar 4,6-Difluoropyrimidine2802-62-238 % similar 6-Chloro-5-fluoropyrimidin-4-amine851984-15-136 % similar 2,3-Difluoropyridine-4-carboxylic acid851386-31-734 % similar 4-Amino-2,3,5,6-tetrafluoropyridine1682-20-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,6-Trifluoropyrimidine696-82-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook