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

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

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

3 names

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

Similar compounds

Segphos244261-66-353 % 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 (-)-Binap76189-56-540 % similar Binap98327-87-840 % similar Dpephos166330-10-539 % similar 2,2-Difluoro-1,3-benzodioxole-4-carboxaldehyde119895-68-039 % similar

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

Elsewhere

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