6-Fluoro-2-(oxiran-2-yl)chroman

C₁₁H₁₁FO₂CAS 99199-90-3194.21 g/mol

Open in Covalent MOL file

Aryl halide Epoxide Ether

Properties

Molecular formula: C₁₁H₁₁FO₂
Molar mass: 194.21 g/mol
Exact mass: 194.0743 Da
logP: 1.92Crippen estimate
Polar surface area: 21.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H317 May cause an allergic skin reactionSensitization, Skin
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 613-227-00-0), via PubChem.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

99199-90-3

SMILES

Fc1ccc2c(c1)CCC(C1CO1)O2

InChIKey

GVZDIJGBXSDSEP-UHFFFAOYSA-N

InChI

InChI=1S/C11H11FO2/c12-8-2-4-9-7(5-8)1-3-10(14-9)11-6-13-11/h2,4-5,10-11H,1,3,6H2

Weigh it out

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

Names and synonyms

5 names

2H-1-Benzopyran, 6-fluoro-3,4-dihydro-2-(2-oxiranyl)-
2H-1-Benzopyran, 6-fluoro-3,4-dihydro-2-oxiranyl-
6-Fluoro-3,4-dihydro-2-(2-oxiranyl)-2H-1-benzopyran
6-Fluoro-3,4-dihydro-2-oxiranyl-2H-1-benzopyran
6-Fluoro-2-(oxiranyl)-3,4-dihydro-1-benzopyran

Work with 6-Fluoro-2-(oxiran-2-yl)chroman

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

Nebivolol118457-14-064 % similar α,α′-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol]99200-09-664 % similar Nebilet152520-56-460 % similar 6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid99199-60-751 % similar 5-Fluoro-2,3-dihydrobenzofuran245762-35-047 % similar 5-Fluoro-2-methoxybenzyl bromide 97700381-18-636 % similar 5-Fluoroindoline2343-22-833 % similar (R)-(4-Fluorophenyl)oxirane134356-73-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 3-(4-fluorophenyl)acrylate352-03-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook