Flecainide

C₁₇H₂₀F₆N₂O₃CAS 54143-55-4414.35 g/mol

Open in Covalent MOL file

Alkyl halide Ether Secondary amine

Properties

Molecular formula: C₁₇H₂₀F₆N₂O₃
Molar mass: 414.35 g/mol
Exact mass: 414.1378 Da
Melting point: 145–147 °C
pKa: 9.3
logP: 4.02Crippen estimate
Polar surface area: 63.1 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 7

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H336 May cause drowsiness or dizziness50% of notifiers
H361 Suspected of damaging fertility or the unborn child50% of notifiers
H361d Suspected of damaging the unborn child50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P270, P271, P280, P301+P317, P304+P340, P318, P319, P330, P403+P233, P405, P501

Identifiers

CAS number

54143-55-4

SMILES

OC(=NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F

InChIKey

DJBNUMBKLMJRSA-UHFFFAOYSA-N

InChI

InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)

Weigh it out

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

Names and synonyms

4 names

Benzamide, N-(2-piperidinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)-
N-(2-Piperidinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
(±)-Flecainide
Flecaine

Work with Flecainide

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Flecainide acetate54143-56-5Salt

Similar compounds

2,5-Bis(2,2,2-trifluoroethoxy)benzoic acid35480-52-549 % similar 2,5-Bis(2,2,2-trifluoroethoxy)benzoic acid hydrazide50778-75-144 % similar 1,1-Dimethylethyl N-[(2S)-2-piperidinylmethyl]carbamate139004-93-638 % similar 1,1-Dimethylethyl N-[(2R)-2-piperidinylmethyl]carbamate139004-96-938 % similar 4-[2,5-Bis(2,2,2-trifluoroethoxy)phenyl]-1,2,3-thiadiazole175205-47-733 % similar 1,4-Bis(2,2,2-trifluoroethoxy)benzene66300-61-633 % similar 4-(2,2,2-Trifluoroethoxy)benzeneboronic acid886536-37-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook