2,4-Difluoropyrimidine

C₄H₂F₂N₂CAS 2802-61-1116.07 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₄H₂F₂N₂
Molar mass: 116.07 g/mol
Exact mass: 116.0186 Da
logP: 0.75Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed87.5% of notifiers
H315 Causes skin irritation91.7% of notifiers
H318 Causes serious eye damage87.5% of notifiers
H335 May cause respiratory irritation91.7% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

2802-61-1

SMILES

C1=CN=C(N=C1F)F

InChIKey

JZSYSXZDIQUOGP-UHFFFAOYSA-N

InChI

InChI=1S/C4H2F2N2/c5-3-1-2-7-4(6)8-3/h1-2H

Weigh it out

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

Work with 2,4-Difluoropyrimidine

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

2,4,6-Trifluoropyrimidine696-82-250 % similar 2,6-Difluoropyridine1513-65-145 % similar 2-Fluoro-4-methylpyridine461-87-044 % similar 2,4-Difluoropyridine34941-90-742 % similar 2-Fluoro-6-methylpyridine407-22-741 % similar 2-Fluoropyridine372-48-540 % similar 4-Bromo-2-fluoropyridine128071-98-739 % similar 4-Amino-2-fluoropyridine18614-51-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,6-Difluoropyrimidine2802-62-2 3,6-Difluoropyridazine33097-39-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook