2-(4-Fluorophenyl)oxirane

C₈H₇FOCAS 18511-62-1138.14 g/mol

Open in Covalent MOL file

Aryl halide Epoxide Ether

Properties

Molecular formula: C₈H₇FO
Molar mass: 138.14 g/mol
Exact mass: 138.0481 Da
Boiling point: 63–64 °C (at 0.5 Torr)
logP: 1.90Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor91.1% of notifiers
H312 Harmful in contact with skin13.3% of notifiers
H319 Causes serious eye irritation13.3% of notifiers
H332 Harmful if inhaled13.3% of notifiers
H351 Suspected of causing cancer13.3% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P318, P321, P337+P317, P362+P364, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

18511-62-1

SMILES

Fc1ccc(C2CO2)cc1

InChIKey

ICVNPQMUUHPPOK-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2

Weigh it out

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

Names and synonyms

11 names

Oxirane, 2-(4-fluorophenyl)-
Benzene, 1-(epoxyethyl)-4-fluoro-
Oxirane, (4-fluorophenyl)-
(p-Fluorophenyl)oxirane
p-Fluorostyrene oxide
2-(p-Fluorophenyl)oxirane
4-Fluorostyrene oxide
(±)-(4-Fluorophenyl)oxirane
4-Fluorophenylstyrene oxide
4-Fluorostyrene epoxide
4-Fluorophenyloxirane

Work with 2-(4-Fluorophenyl)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

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.

(R)-(4-Fluorophenyl)oxirane134356-73-3Defined stereoisomer

Similar compounds

(+)-Styrene oxide20780-53-456 % similar (S)-Styrene oxide20780-54-556 % similar Styrene oxide96-09-356 % similar 4-Chlorostyrene oxide2788-86-556 % similar (2S)-2-(3,4-Difluorophenyl)oxirane1006376-63-155 % similar γ-(4-Fluorophenyl)-γ-butyrolactone51787-96-347 % similar 4,4′-Difluorobenzhydryl chloride27064-94-444 % similar Bis(4-fluorophenyl)methanol365-24-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-6-methylbenzaldehyde117752-04-2 4-Fluoro-3-methylbenzaldehyde135427-08-6 2-Fluoro-4-methylbenzaldehyde146137-80-6 3-Fluoro-2-methylbenzaldehyde147624-13-3 3-Fluoro-4-methylbenzaldehyde177756-62-6 3-Fluoro-5-methylbenzaldehyde189628-39-5 5-Fluoro-2-methylbenzaldehyde22062-53-9

Elsewhere

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