(Alpha,alpha-difluoro)phenylacetic acid ethyl ester

C₁₀H₁₀F₂O₂CAS 2248-46-6200.18 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₁₀H₁₀F₂O₂
Molar mass: 200.18 g/mol
Exact mass: 200.0649 Da
logP: 2.34Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

2248-46-6

SMILES

CCOC(=O)C(C1=CC=CC=C1)(F)F

InChIKey

KCMSDCHUELUJPX-UHFFFAOYSA-N

InChI

InChI=1S/C10H10F2O2/c1-2-14-9(13)10(11,12)8-6-4-3-5-7-8/h3-7H,2H2,1H3

Weigh it out

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

Names and synonyms

1 names

Ethyl 2,2-difluoro-2-phenylacetate

Work with (Alpha,alpha-difluoro)phenylacetic acid ethyl ester

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

Ethyl 2-phenylisobutyrate2901-13-564 % similar Ethyl benzilate52182-15-762 % similar Ethyl α,α-dichlorobenzeneacetate5317-66-862 % similar 1,3-Diethyl 2-ethyl-2-phenylpropanedioate76-67-562 % similar Ethyl α-cyano-α-ethylbenzeneacetate718-71-856 % similar 1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-950 % similar Ethyl trifluoroacetate383-63-150 % similar Diethyl 2,2-difluoromalonate680-65-950 % similar

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

Elsewhere

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