2,3-Bis(trifluoromethyl)pyridine

C7H3F6NCAS 1644-68-4215.10 g/mol

Open in Covalent MOL file
NFFFFFF
Alkyl halide

Properties

Molecular formula
C7H3F6N
Molar mass
215.10 g/mol
Exact mass
215.0170 Da
logP
3.12Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1644-68-4
SMILES
C1=CC(=C(N=C1)C(F)(F)F)C(F)(F)F
InChIKey
RRNXYHYDSDAOFW-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F6N/c8-6(9,10)4-2-1-3-14-5(4)7(11,12)13/h1-3H

Weigh it out

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

Work with 2,3-Bis(trifluoromethyl)pyridine

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-Fluoro-3-(trifluoromethyl)pyridine65753-52-861 % similar 3-Fluoro-2-(trifluoromethyl)pyridine886510-21-061 % similar 2-Bromo-3-(trifluoromethyl)pyridine175205-82-059 % similar 2-Amino-3-(trifluoromethyl)pyridine183610-70-059 % similar 2-Chloro-3-(trifluoromethyl)pyridine65753-47-159 % similar 2-Hydrazinyl-3-(trifluoromethyl)pyridine89570-83-255 % similar 2-Methoxy-3-(trifluoromethyl)pyridine121643-44-553 % similar 3-(Trifluoromethyl)pyridine-2-carboxaldehyde131747-62-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Bis(trifluoromethyl)pyridine20857-47-0 2,6-Bis(trifluoromethyl)pyridine455-00-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook