Difluoro(2,3,4-trifluorophenyl)methyl octanoate

C₁₅H₁₇F₅O₂CAS 21635-03-0324.29 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ester

Properties

Molecular formula: C₁₅H₁₇F₅O₂
Molar mass: 324.29 g/mol
Exact mass: 324.1149 Da
logP: 5.06Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 8

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

21635-03-0

SMILES

CCCCCCCC(=O)OC(C1=C(C(=C(C=C1)F)F)F)(F)F

InChIKey

AERZFSLRHXRIPF-UHFFFAOYSA-N

InChI

InChI=1S/C15H17F5O2/c1-2-3-4-5-6-7-12(21)22-15(19,20)10-8-9-11(16)14(18)13(10)17/h8-9H,2-7H2,1H3

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Names and synonyms

1 names

Pentafluorobenzyl N-octanoate

Work with Difluoro(2,3,4-trifluorophenyl)methyl octanoate

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

Phenyl stearate637-55-841 % similar Dilauroyl peroxide105-74-840 % similar Decanoic anhydride2082-76-040 % similar Palmitic anhydride623-65-440 % similar Heptanoic anhydride626-27-740 % similar Stearic anhydride638-08-440 % similar 4-Methylphenyl octanoate59558-23-540 % similar Pentaerythrityl tetrastearate115-83-339 % similar

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

Elsewhere

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