Bis(2,2,2-trifluoroethyl) (methoxycarbonylmethyl)phosphonate

C₇H₉F₆O₅PCAS 88738-78-7318.11 g/mol

Open in Covalent MOL file

Alkyl halide Ester Phosphonate

Properties

Molecular formula: C₇H₉F₆O₅P
Molar mass: 318.11 g/mol
Exact mass: 318.0092 Da
logP: 2.51Crippen estimate
Polar surface area: 61.8 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

88738-78-7

SMILES

COC(=O)CP(=O)(OCC(F)(F)F)OCC(F)(F)F

InChIKey

PVSJXEDBEXYLML-UHFFFAOYSA-N

InChI

InChI=1S/C7H9F6O5P/c1-16-5(14)2-19(15,17-3-6(8,9)10)18-4-7(11,12)13/h2-4H2,1H3

Weigh it out

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

Work with Bis(2,2,2-trifluoroethyl) (methoxycarbonylmethyl)phosphonate

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

Methyl (diethylphosphono)acetate1067-74-960 % similar Trimethyl phosphonoacetate5927-18-456 % similar Tris(2,2,2-trifluoroethyl)phosphate358-63-441 % similar Triethyl phosphonoacetate867-13-041 % similar tert-Butyl diethylphosphonoacetate27784-76-540 % similar Dimethyl glutarate1119-40-039 % similar tert-Butyl Dimethylphosphonoacetate62327-21-339 % similar Methyl 4,4,4-trifluoroacetoacetate83643-84-938 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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