chempirical

Ethyl 2,2-difluorohexanoate

C8H14F2O2CAS 74106-81-3180.19 g/mol

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Alkyl halideEster

Properties

Molecular formula
C8H14F2O2
Molar mass
180.19 g/mol
Exact mass
180.0962 Da
logP
2.38Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
74106-81-3
SMILES
CCCCC(C(=O)OCC)(F)F
InChIKey
XTUTXYBGTIFZFQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H14F2O2/c1-3-5-6-8(9,10)7(11)12-4-2/h3-6H2,1-2H3

Weigh it out

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Work with Ethyl 2,2-difluorohexanoate

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 dibutylmalonate596-75-866 % similar 1,3-Diethyl 2,2-dipropylpropanedioate6065-63-055 % similar Ethyl 2,2-difluoropent-4-enoate110482-96-754 % similar 1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-953 % similar Ethyl trifluoroacetate383-63-153 % similar Diethyl 2,2-difluoromalonate680-65-953 % similar Diethyl 1,1-cyclobutanedicarboxylate3779-29-152 % similar Diethyl 1,1-cyclopropanedicarboxylate1559-02-050 % similar

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

Elsewhere

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