chempirical

2,2,3,3-Tetrafluoropropyl 4-toluenesulfonate

C10H10F4O3SCAS 786-31-2286.24 g/mol

Open in Covalent MOL file
SOOOFFFF
Alkyl halideSulfonate ester

Properties

Molecular formula
C10H10F4O3S
Molar mass
286.24 g/mol
Exact mass
286.0287 Da
logP
2.60Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
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
786-31-2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC(C(F)F)(F)F
InChIKey
IMDNPHAMGJIKNV-UHFFFAOYSA-N
InChI
InChI=1S/C10H10F4O3S/c1-7-2-4-8(5-3-7)18(15,16)17-6-10(13,14)9(11)12/h2-5,9H,6H2,1H3

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Work with 2,2,3,3-Tetrafluoropropyl 4-toluenesulfonate

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

2,2,2-Trifluoroethyl p-toluenesulfonate433-06-768 % similar Ethylene glycol ditosylate6315-52-257 % similar 1,3-Propanediol ditosylate5469-66-954 % similar Ethyl p-toluenesulfonate80-40-054 % similar 2-Methoxyethyl p-toluenesulfonate17178-10-854 % similar 2-Fluoroethyl p-toluenesulfonate383-50-654 % similar Triethylene glycol ditosylate19249-03-753 % similar 2,2′-Oxybis(ethyl tosylate)7460-82-453 % similar

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

Elsewhere

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