Tris(2,2,2-trifluoroethyl)phosphate

C₆H₆F₉O₄PCAS 358-63-4344.07 g/mol

Open in Covalent MOL file

Alkyl halide Phosphate

Properties

Molecular formula: C₆H₆F₉O₄P
Molar mass: 344.07 g/mol
Exact mass: 343.9860 Da
logP: 3.83Crippen estimate
Polar surface area: 44.8 Å²
H-bond donors / acceptors: 0 / 4
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

358-63-4

SMILES

C(C(F)(F)F)OP(=O)(OCC(F)(F)F)OCC(F)(F)F

InChIKey

ZMQDTYVODWKHNT-UHFFFAOYSA-N

InChI

InChI=1S/C6H6F9O4P/c7-4(8,9)1-17-20(16,18-2-5(10,11)12)19-3-6(13,14)15/h1-3H2

Weigh it out

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Names and synonyms

1 names

Tris(2,2,2-Trifluoroethyl) phosphate

Work with Tris(2,2,2-trifluoroethyl)phosphate

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

Tris(tribromoneopentyl) phosphate19186-97-146 % similar 1-Oxo-4-hydroxymethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane5301-78-046 % similar Tris(2,2,3,3,4,4,5,5-octafluoropentyl) phosphate355-86-244 % similar 1,1′-Oxybis[2,2,2-trifluoroethane]333-36-843 % similar Bis(2,2,2-trifluoroethyl) (methoxycarbonylmethyl)phosphonate88738-78-741 % similar 2,2,2-Trifluoroethyl formate32042-38-938 % similar 2,2,2-Trifluoroethyl methyl ether460-43-538 % similar Tris(2,2,2-trifluoroethyl) borate659-18-738 % similar

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

Elsewhere

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