dichloropalladium;5-[difluoro-[4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl] trifluoromethanesulfonate;bis(triphenylphosphane)

C99H80BCl2F17O7P2PdS — CID 162148496

IUPACdichloropalladium;5-[difluoro-[4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl] trifluoromethanesulfonate;bis(triphenylphosphane)
SMILESCC1(C)OB(c2ccc(C(F)(F)Oc3cc(F)c(F)c(F)c3)cc2)OC1(C)C.CCCc1ccc(-c2ccc(-c3ccc(C(F)(F)Oc4cc(F)c(F)c(F)c4)cc3)c(F)c2)c(F)c1.CCCc1ccc(-c2ccc(OS(=O)(=O)C(F)(F)F)c(F)c2)c(F)c1.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H19F7O.C19H18BF5O3.2C18H15P.C16H13F5O3S.2ClH.Pd/c1-2-3-16-4-10-22(23(29)12-16)18-7-11-21(24(30)13-18)17-5-8-19(9-6-17)28(34,35)36-20-14-25(31)27(33)26(32)15-20;1-17(2)18(3,4)28-20(27-17)12-7-5-11(6-8-12)19(24,25)26-13-9-14(21)16(23)15(22)10-13;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-10-4-6-12(13(17)8-10)11-5-7-15(14(18)9-11)24-25(22,23)16(19,20)21;;;/h4-15H,2-3H2,1H3;5-10H,1-4H3;2*1-15H;4-9H,2-3H2,1H3;2*1H;/q;;;;;;;+2/p-2
InChIKeyZKWNYLXNTMSAFT-UHFFFAOYSA-L
MW1986.84 g/mol
LogP26.41
Rot. Bonds22

About dichloropalladium;5-[difluoro-[4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl] trifluoromethanesulfonate;bis(triphenylphosphane)

dichloropalladium;5-[difluoro-[4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl] trifluoromethanesulfonate;bis(triphenylphosphane) (PubChem CID 162148496) has the molecular formula C99H80BCl2F17O7P2PdS and a molecular weight of 1986.84 g/mol. Its IUPAC name is dichloropalladium;5-[difluoro-[4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl] trifluoromethanesulfonate;bis(triphenylphosphane).

Molecular Properties

Compound Namedichloropalladium;5-[difluoro-[4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl] trifluoromethanesulfonate;bis(triphenylphosphane)
PubChem CID162148496
Molecular FormulaC99H80BCl2F17O7P2PdS
Molecular Weight1986.84 g/mol
Exact Mass1984.33
IUPAC Namedichloropalladium;5-[difluoro-[4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl] trifluoromethanesulfonate;bis(triphenylphosphane)
SMILESCC1(C)OB(c2ccc(C(F)(F)Oc3cc(F)c(F)c(F)c3)cc2)OC1(C)C.CCCc1ccc(-c2ccc(-c3ccc(C(F)(F)Oc4cc(F)c(F)c(F)c4)cc3)c(F)c2)c(F)c1.CCCc1ccc(-c2ccc(OS(=O)(=O)C(F)(F)F)c(F)c2)c(F)c1.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H19F7O.C19H18BF5O3.2C18H15P.C16H13F5O3S.2ClH.Pd/c1-2-3-16-4-10-22(23(29)12-16)18-7-11-21(24(30)13-18)17-5-8-19(9-6-17)28(34,35)36-20-14-25(31)27(33)26(32)15-20;1-17(2)18(3,4)28-20(27-17)12-7-5-11(6-8-12)19(24,25)26-13-9-14(21)16(23)15(22)10-13;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-10-4-6-12(13(17)8-10)11-5-7-15(14(18)9-11)24-25(22,23)16(19,20)21;;;/h4-15H,2-3H2,1H3;5-10H,1-4H3;2*1-15H;4-9H,2-3H2,1H3;2*1H;/q;;;;;;;+2/p-2
InChIKeyZKWNYLXNTMSAFT-UHFFFAOYSA-L
XLogP26.41
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001986.84
LogP ≤ 526.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze dichloropalladium;5-[difluoro-[4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl] trifluoromethanesulfonate;bis(triphenylphosphane) with MolForge

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Related Compounds

5-[(4-bromophenyl)-difluoromethoxy]-1,2,3-trifluorobenzene;dichloropalladium;5-[difluoro-[4-[2-fluoro-4-(4-propylphenyl)phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene;[2-fluoro-4-(4-propylphenyl)phenyl]boronic acid;bis(triphenylphosphane)
CID 157101429
2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-1,3-difluoro-5-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]benzene
CID 59329078
5-[difluoro-[4-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]phenyl]methoxy]-1,3-difluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene
CID 59329551
5-[difluoro-[4-[2-fluoro-4-[2-fluoro-4-(4-pentoxyphenyl)phenyl]phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene
CID 59328376
5-[difluoro-[4-[2-fluoro-4-(4-propylphenyl)phenyl]phenyl]methoxy]-1,3-difluoro-2-(fluoromethoxy)benzene
CID 134222398
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]benzene
CID 159111708
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]phenyl]benzene
CID 59329528
2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]-1,3-difluoro-5-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]benzene
CID 59329909
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[4-[4-(2-fluoro-4-pentylphenyl)phenyl]phenyl]benzene
CID 59328163
3-[difluoro-[4-(4-propylphenyl)phenyl]methoxy]-1,2,8-trifluoro-7-[4-(3,4,5-trifluorophenyl)phenyl]naphthalene
CID 118894722
1-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2-fluoro-4-[4-(4-pentylphenyl)phenyl]benzene
CID 59328660
1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluoro-4-(4-propylphenyl)benzene
CID 118592629

Frequently Asked Questions

What is the IUPAC name of dichloropalladium;5-[difluoro-[4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl] trifluoromethanesulfonate;bis(triphenylphosphane)?
The IUPAC name of dichloropalladium;5-[difluoro-[4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl] trifluoromethanesulfonate;bis(triphenylphosphane) (CID 162148496) is dichloropalladium;5-[difluoro-[4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl] trifluoromethanesulfonate;bis(triphenylphosphane).
What is the SMILES notation for dichloropalladium;5-[difluoro-[4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl] trifluoromethanesulfonate;bis(triphenylphosphane)?
The canonical SMILES for dichloropalladium;5-[difluoro-[4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl] trifluoromethanesulfonate;bis(triphenylphosphane) is CC1(C)OB(c2ccc(C(F)(F)Oc3cc(F)c(F)c(F)c3)cc2)OC1(C)C.CCCc1ccc(-c2ccc(-c3ccc(C(F)(F)Oc4cc(F)c(F)c(F)c4)cc3)c(F)c2)c(F)c1.CCCc1ccc(-c2ccc(OS(=O)(=O)C(F)(F)F)c(F)c2)c(F)c1.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichloropalladium;5-[difluoro-[4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl] trifluoromethanesulfonate;bis(triphenylphosphane)?
The InChIKey is ZKWNYLXNTMSAFT-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H19F7O.C19H18BF5O3.2C18H15P.C16H13F5O3S.2ClH.Pd/c1-2-3-16-4-10-22(23(29)12-16)18-7-11-21(24(30)13-18)17-5-8-19(9-6-17)28(34,35)36-20-14-25(31)27(33)26(32)15-20;1-17(2)18(3,4)28-20(27-17)12-7-5-11(6-8-12)19(24,25)26-13-9-14(21)16(23)15(22)10-13;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-10-4-6-12(13(17)8-10)11-5-7-15(14(18)9-11)24-25(22,23)16(19,20)21;;;/h4-15H,2-3H2,1H3;5-10H,1-4H3;2*1-15H;4-9H,2-3H2,1H3;2*1H;/q;;;;;;;+2/p-2.
What are the key properties of dichloropalladium;5-[difluoro-[4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl] trifluoromethanesulfonate;bis(triphenylphosphane)?
dichloropalladium;5-[difluoro-[4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl] trifluoromethanesulfonate;bis(triphenylphosphane) has a molecular weight of 1986.84 g/mol, XLogP of 26.41, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;5-[difluoro-[4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl] trifluoromethanesulfonate;bis(triphenylphosphane) is sourced from PubChem (CID 162148496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).