α,Α′-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol]

C₂₂H₂₅F₂NO₄CAS 99200-09-6405.44 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether Secondary amine

Properties

Molecular formula: C₂₂H₂₅F₂NO₄
Molar mass: 405.44 g/mol
Exact mass: 405.1752 Da
logP: 2.36Crippen estimate
Polar surface area: 71.0 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 6

Identifiers

CAS number

99200-09-6

SMILES

OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1

InChIKey

KOHIRBRYDXPAMZ-UHFFFAOYSA-N

InChI

InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2

Weigh it out

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

Names and synonyms

2 names

2H-1-Benzopyran-2-methanol, α,α′-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-
1-(6-Fluoro-chroman-2-yl)-2-[2-(6-fluoro-chroman-2-yl)-2-hydroxy-ethylamino]-ethanol

Work with α,Α′-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol]

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

Nebilet152520-56-493 % similar 6-Fluoro-2-(oxiran-2-yl)chroman99199-90-364 % similar 6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid99199-60-749 % similar 5-Fluoro-2-methoxybenzeneacetic acid383134-85-831 % similar 2,5-Difluorobenzenemethanol75853-20-230 % similar Tavaborole174671-46-630 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Nebivolol118457-14-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook