1,1'-[(4S)-2,2,2',2'-Tetrafluoro[4,4'-bi-1,3-benzodioxole]-5,5'-diyl]bis[1,1-diphenylphosphine]

C38H24F4O4P2CAS 503538-70-3682.55 g/mol

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FFOPPOFFOO
AcetalAlkyl halideEtherPhosphine

Properties

Molecular formula
C38H24F4O4P2
Molar mass
682.55 g/mol
Exact mass
682.1086 Da
logP
7.51Crippen estimate
Polar surface area
36.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
503538-70-3
SMILES
FC1(F)Oc2ccc(P(c3ccccc3)c3ccccc3)c(-c3c(P(c4ccccc4)c4ccccc4)ccc4c3OC(F)(F)O4)c2O1
InChIKey
HGMLTMOEYCQDDR-UHFFFAOYSA-N
InChI
InChI=1S/C38H24F4O4P2/c39-37(40)43-29-21-23-31(47(25-13-5-1-6-14-25)26-15-7-2-8-16-26)33(35(29)45-37)34-32(24-22-30-36(34)46-38(41,42)44-30)48(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24H

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Names and synonyms

4 names
  • 1,1′-[(4S)-2,2,2′,2′-Tetrafluoro[4,4′-bi-1,3-benzodioxole]-5,5′-diyl]bis[1,1-diphenylphosphine]
  • Phosphine, 1,1′-[(4S)-2,2,2′,2′-tetrafluoro[4,4′-bi-1,3-benzodioxole]-5,5′-diyl]bis[1,1-diphenyl-
  • Phosphine, [(4S)-2,2,2′,2′-tetrafluoro[4,4′-bi-1,3-benzodioxole]-5,5′-diyl]bis[diphenyl-
  • (S)-DIFLUORPHOS

Work with 1,1'-[(4S)-2,2,2',2'-Tetrafluoro[4,4'-bi-1,3-benzodioxole]-5,5'-diyl]bis[1,1-diphenylphosphine]

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,1'-[(4S)-2,2,2',2'-Tetrafluoro[4,4'-bi-1,3-benzodioxole]-5,5'-diyl]bis[1,1-diphenylphosphine]503538-69-0

Similar compounds

4,4'-Bi-1,3-benzodioxole-5,5'-diylbis(diphenylphosphine)210169-54-353 % similar 4,4'-Bi-1,3-benzodioxole-5,5'-diylbis(diphenylphosphine)244261-66-353 % similar 4-Bromo-2,2-difluoro-1,3-benzodioxole144584-66-746 % similar 2,2-Difluoro-1,3-benzodioxole1583-59-144 % similar 4-Amino-2,2-difluoro-1,3-benzodioxole106876-54-441 % similar (2'-Methoxy-1,1'-binaphthalen-2-yl)(diphenyl)phosphine134484-36-940 % similar (R)-Mop145964-33-640 % similar Binap76189-55-440 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

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