chempirical

Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoate

C10H16F2O5CAS 95058-92-7254.23 g/mol

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OOOOHOFF
AcetalAlcoholAlkyl halideEsterEther

Properties

Molecular formula
C10H16F2O5
Molar mass
254.23 g/mol
Exact mass
254.0966 Da
logP
0.70Crippen estimate
Polar surface area
65.0 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

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
95058-92-7
SMILES
CCOC(=O)C(C(C1COC(O1)(C)C)O)(F)F
InChIKey
OUFRYOWGFSOSEY-UHFFFAOYSA-N
InChI
InChI=1S/C10H16F2O5/c1-4-15-8(14)10(11,12)7(13)6-5-16-9(2,3)17-6/h6-7,13H,4-5H2,1-3H3

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Names and synonyms

1 names
  • Ethyl (3R,S)-2,2-difluoro-3-hydroxy-3-(2,2-dimethyldioxolan-4-yl)propionate

Work with Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoate

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

(2S,3R)-Ethyl 3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylpropanoate93635-76-870 % similar Diethyl 2,2-difluoromalonate680-65-943 % similar 1,2:5,6-Di-O-isopropylidene-D-mannitol1707-77-342 % similar 2,2-Difluoropropionic acid ethyl ester28781-85-341 % similar Ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate91600-33-840 % similar 1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-940 % similar Ethyl trifluoroacetate383-63-140 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-ribo-hexofuranos-3-ulose2847-00-938 % similar

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

Elsewhere

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