Ethyl 2,2-difluoropent-4-enoate

C7H10F2O2CAS 110482-96-7164.15 g/mol

Open in Covalent MOL file
OOFF
AlkeneAlkyl halideEster

Properties

Molecular formula
C7H10F2O2
Molar mass
164.15 g/mol
Exact mass
164.0649 Da
logP
1.76Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
110482-96-7
SMILES
CCOC(=O)C(CC=C)(F)F
InChIKey
YWORETBGSIWDRB-UHFFFAOYSA-N
InChI
InChI=1S/C7H10F2O2/c1-3-5-7(8,9)6(10)11-4-2/h3H,1,4-5H2,2H3

Weigh it out

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

Work with Ethyl 2,2-difluoropent-4-enoate

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

Diethyl diallylmalonate3195-24-267 % similar Ethyl 2,2-difluorohexanoate74106-81-354 % similar 1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-952 % similar Ethyl trifluoroacetate383-63-152 % similar Diethyl 2,2-difluoromalonate680-65-952 % similar Ethyl 2-chloro-2,2-difluoroacetate383-62-051 % similar 2,2-Difluoropropionic acid ethyl ester28781-85-349 % similar 1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate424-40-847 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,4-Difluorocyclohexanecarboxylic acid122665-97-8 Ethyl 3,3-difluorocyclobutane-1-carboxylate681128-38-1

Elsewhere

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