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

C₃₈H₂₄F₄O₄P₂CAS 503538-69-0682.55 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ether Phosphine

Properties

Molecular formula: C₃₈H₂₄F₄O₄P₂
Molar mass: 682.55 g/mol
Exact mass: 682.1086 Da
logP: 7.51Crippen estimate
Polar surface area: 36.9 Å²
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. Search the SDS library

Identifiers

CAS number

503538-69-0

SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=C(C=C3)OC(O4)(F)F)C5=C(C=CC6=C5OC(O6)(F)F)P(C7=CC=CC=C7)C8=CC=CC=C8

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

1 names

(R)-Difluorphos(tm)

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]503538-70-3

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

Elsewhere

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