Ethyl difluoro(iodo)acetate

C₄H₅F₂IO₂CAS 7648-30-8249.98 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₄H₅F₂IO₂
Molar mass: 249.98 g/mol
Exact mass: 249.9302 Da
logP: 1.58Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

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

Aggregated from 2 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

7648-30-8

SMILES

CCOC(=O)C(F)(F)I

InChIKey

HGWXXIZVRRTDKT-UHFFFAOYSA-N

InChI

InChI=1S/C4H5F2IO2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

Weigh it out

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Names and synonyms

1 names

Ethyl iododifluoroacetate

Work with Ethyl difluoro(iodo)acetate

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

1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-961 % similar Ethyl trifluoroacetate383-63-161 % similar Diethyl 2,2-difluoromalonate680-65-961 % similar 2,2-Difluoropropionic acid ethyl ester28781-85-357 % similar Ethyl 2-chloro-2,2-difluoroacetate383-62-055 % similar 1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate424-40-855 % similar Ethyl 2,2,3,3,3-pentafluoropropanoate426-65-355 % similar Ethyl 2,2-dibromo-2-fluoroacetate565-53-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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