chempirical

Bis(2,2,2-trifluoroethyl) phthalate

C12H8F6O4CAS 62240-27-1330.18 g/mol

Open in Covalent MOL file
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Alkyl halideEster

Properties

Molecular formula
C12H8F6O4
Molar mass
330.18 g/mol
Exact mass
330.0327 Da
logP
3.12Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

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
62240-27-1
SMILES
C1=CC=C(C(=C1)C(=O)OCC(F)(F)F)C(=O)OCC(F)(F)F
InChIKey
PSRBRNHUQJKQHV-UHFFFAOYSA-N
InChI
InChI=1S/C12H8F6O4/c13-11(14,15)5-21-9(19)7-3-1-2-4-8(7)10(20)22-6-12(16,17)18/h1-4H,5-6H2

Weigh it out

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

Work with Bis(2,2,2-trifluoroethyl) phthalate

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

Benzyl phthalate523-31-956 % similar Diethyl phthalate84-66-253 % similar Pentaerythrityl tetrabenzoate4196-86-552 % similar Dipropyl phthalate131-16-850 % similar Diallyl phthalate131-17-950 % similar Ethyl o-(trifluoromethyl)benzoate577-62-849 % similar Bis(2-methoxyethyl) phthalate117-82-849 % similar Diisobutyl phthalate84-69-549 % similar

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

Elsewhere

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