N,N-bis(diphenylphosphanylmethyl)-2,2,2-trifluoroethanamine;palladium(2+);diacetate

C32H32F3NO4P2Pd — CID 15869781

IUPACN,N-bis(diphenylphosphanylmethyl)-2,2,2-trifluoroethanamine;palladium(2+);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].FC(F)(F)CN(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.[Pd+2]
InChIInChI=1S/C28H26F3NP2.2C2H4O2.Pd/c29-28(30,31)21-32(22-33(24-13-5-1-6-14-24)25-15-7-2-8-16-25)23-34(26-17-9-3-10-18-26)27-19-11-4-12-20-27;2*1-2(3)4;/h1-20H,21-23H2;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeySFMHUTIXYOUONH-UHFFFAOYSA-L
MW719.97 g/mol
LogP3.54
Rot. Bonds9

About N,N-bis(diphenylphosphanylmethyl)-2,2,2-trifluoroethanamine;palladium(2+);diacetate

N,N-bis(diphenylphosphanylmethyl)-2,2,2-trifluoroethanamine;palladium(2+);diacetate (PubChem CID 15869781) has the molecular formula C32H32F3NO4P2Pd and a molecular weight of 719.97 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanylmethyl)-2,2,2-trifluoroethanamine;palladium(2+);diacetate.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanylmethyl)-2,2,2-trifluoroethanamine;palladium(2+);diacetate
PubChem CID15869781
Molecular FormulaC32H32F3NO4P2Pd
Molecular Weight719.97 g/mol
Exact Mass719.08
IUPAC NameN,N-bis(diphenylphosphanylmethyl)-2,2,2-trifluoroethanamine;palladium(2+);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].FC(F)(F)CN(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.[Pd+2]
InChIInChI=1S/C28H26F3NP2.2C2H4O2.Pd/c29-28(30,31)21-32(22-33(24-13-5-1-6-14-24)25-15-7-2-8-16-25)23-34(26-17-9-3-10-18-26)27-19-11-4-12-20-27;2*1-2(3)4;/h1-20H,21-23H2;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeySFMHUTIXYOUONH-UHFFFAOYSA-L
XLogP3.54
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500719.97
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(diphenylphosphanylmethyl)-2,2,2-trifluoroethanamine;palladium(2+);diacetate?
The IUPAC name of N,N-bis(diphenylphosphanylmethyl)-2,2,2-trifluoroethanamine;palladium(2+);diacetate (CID 15869781) is N,N-bis(diphenylphosphanylmethyl)-2,2,2-trifluoroethanamine;palladium(2+);diacetate.
What is the SMILES notation for N,N-bis(diphenylphosphanylmethyl)-2,2,2-trifluoroethanamine;palladium(2+);diacetate?
The canonical SMILES for N,N-bis(diphenylphosphanylmethyl)-2,2,2-trifluoroethanamine;palladium(2+);diacetate is CC(=O)[O-].CC(=O)[O-].FC(F)(F)CN(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.[Pd+2].
What is the InChIKey of N,N-bis(diphenylphosphanylmethyl)-2,2,2-trifluoroethanamine;palladium(2+);diacetate?
The InChIKey is SFMHUTIXYOUONH-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H26F3NP2.2C2H4O2.Pd/c29-28(30,31)21-32(22-33(24-13-5-1-6-14-24)25-15-7-2-8-16-25)23-34(26-17-9-3-10-18-26)27-19-11-4-12-20-27;2*1-2(3)4;/h1-20H,21-23H2;2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of N,N-bis(diphenylphosphanylmethyl)-2,2,2-trifluoroethanamine;palladium(2+);diacetate?
N,N-bis(diphenylphosphanylmethyl)-2,2,2-trifluoroethanamine;palladium(2+);diacetate has a molecular weight of 719.97 g/mol, XLogP of 3.54, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanylmethyl)-2,2,2-trifluoroethanamine;palladium(2+);diacetate is sourced from PubChem (CID 15869781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).