chempirical

Tris(4-trifluoromethylphenyl)phosphine

C21H12F9PCAS 13406-29-6466.29 g/mol

Open in Covalent MOL file
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Alkyl halidePhosphine

Properties

Molecular formula
C21H12F9P
Molar mass
466.29 g/mol
Exact mass
466.0533 Da
logP
6.50Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

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
13406-29-6
SMILES
C1=CC(=CC=C1C(F)(F)F)P(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F
InChIKey
PXYCJKZSCDFXLR-UHFFFAOYSA-N
InChI
InChI=1S/C21H12F9P/c22-19(23,24)13-1-7-16(8-2-13)31(17-9-3-14(4-10-17)20(25,26)27)18-11-5-15(6-12-18)21(28,29)30/h1-12H

Weigh it out

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Work with Tris(4-trifluoromethylphenyl)phosphine

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

1,4-Bis(trifluoromethyl)benzene433-19-267 % similar Tris(3,5-bis(trifluoromethyl)phenyl)phosphine175136-62-657 % similar 4-Fluorobenzotrifluoride402-44-852 % similar 1-Bromo-4-(trifluoromethyl)benzene402-43-750 % similar 4-(Trifluoromethyl)phenol402-45-950 % similar 1-Iodo-4-(trifluoromethyl)benzene455-13-050 % similar 4-(Trifluoromethyl)aniline455-14-150 % similar 1-Methyl-4-(trifluoromethyl)benzene6140-17-650 % similar

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

Elsewhere

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