Ethyl 6-fluorohexanoate

C₈H₁₅FO₂CAS 589-79-7162.20 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₈H₁₅FO₂
Molar mass: 162.20 g/mol
Exact mass: 162.1056 Da
logP: 2.08Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

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

589-79-7

SMILES

CCOC(=O)CCCCCF

InChIKey

ARWCSVYFRYFFPQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H15FO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3

Weigh it out

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

Work with Ethyl 6-fluorohexanoate

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 sebacate110-40-777 % similar Diethyl pimelate2050-20-677 % similar Diethyl suberate2050-23-977 % similar Diethyl azelate624-17-977 % similar Diethyl adipate141-28-673 % similar Diethyl glutarate818-38-269 % similar Ethyl heptanoate106-30-967 % similar Ethyl octanoate106-32-167 % similar

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

Elsewhere

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