Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate

C₉H₅F₁₃O₂CAS 41430-70-0392.12 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₉H₅F₁₃O₂
Molar mass: 392.12 g/mol
Exact mass: 392.0082 Da
Boiling point: 87 °C (at 20 Torr)
logP: 4.29Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

41430-70-0

SMILES

CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChIKey

ZESCSNXJAROIJS-UHFFFAOYSA-N

InChI

InChI=1S/C9H5F13O2/c1-2-24-3(23)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2H2,1H3

Weigh it out

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

Names and synonyms

4 names

Heptanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-, ethyl ester
Heptanoic acid, tridecafluoro-, ethyl ester
Ethyl perfluoroheptanoate
Ethyl tridecafluoroheptanoate

Work with Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate

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

Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate30377-52-7100 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate3108-24-5100 % similar Ethyl perfluoropentanoate424-36-297 % similar Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate356-27-487 % similar 1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate424-40-877 % similar Ethyl 2,2,3,3,3-pentafluoropropanoate426-65-371 % similar 1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-967 % similar Ethyl 9H-perfluorononanoate1799-47-966 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2H,2H,3H,3H-Perfluorononanoic acid27854-30-4

Elsewhere

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