(2S)-2-(3,4-Difluorophenyl)oxirane

C₈H₆F₂OCAS 1006376-63-1156.13 g/mol

Open in Covalent MOL file

Aryl halide Epoxide Ether

Properties

Molecular formula: C₈H₆F₂O
Molar mass: 156.13 g/mol
Exact mass: 156.0387 Da
logP: 2.04Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H227 Combustible liquid100% of notifiers
H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

1006376-63-1

SMILES

Fc1ccc([C@H]2CO2)cc1F

InChIKey

UNJRFWWCCAHSRB-MRVPVSSYSA-N

InChI

InChI=1S/C8H6F2O/c9-6-2-1-5(3-7(6)10)8-4-11-8/h1-3,8H,4H2/t8-/m1/s1

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Names and synonyms

3 names

Oxirane, 2-(3,4-difluorophenyl)-, (2S)-
(S)-2-(3,4-Difluorophenyl)oxirane
(S)-2-(3,4-Difluorophenyl)ethylene oxide

Work with (2S)-2-(3,4-Difluorophenyl)oxirane

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

(R)-(4-Fluorophenyl)oxirane134356-73-355 % similar 2-(4-Fluorophenyl)oxirane18511-62-155 % similar (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine220352-38-547 % similar 1,2-Difluoro-4-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene117943-37-046 % similar (alphaS)-alpha-(Chloromethyl)-3,4-difluorobenzenemethanol1006376-60-846 % similar (S)-1-(3,4-Difluorophenyl)ethanamine321318-17-645 % similar (R)-(+)-3-Chlorostyrene oxide62600-71-945 % similar 4-Chlorostyrene oxide2788-86-545 % similar

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

Same formula

3',5'-Difluoroacetophenone123577-99-1 1-(2,6-Difluorophenyl)ethanone13670-99-0 5,7-Difluoro-2,3-dihydrobenzofuran175203-20-0 2',3'-Difluoroacetophenone18355-80-1 1-(2,5-Difluorophenyl)ethanone1979-36-8 2,3-Difluoro-4-methylbenzaldehyde245536-50-9 1-(2,4-Difluorophenyl)ethanone364-83-0 1-(3,4-Difluorophenyl)ethanone369-33-5

Elsewhere

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