(1R)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-N-diphenylphosphoryl-1-phenylmethanamine

C23H21F6NO4P2 — CID 102473571

IUPAC(1R)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-N-diphenylphosphoryl-1-phenylmethanamine
SMILESO=P(N[C@@H](c1ccccc1)P(=O)(OCC(F)(F)F)OCC(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21F6NO4P2/c24-22(25,26)16-33-36(32,34-17-23(27,28)29)21(18-10-4-1-5-11-18)30-35(31,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,30,31)/t21-/m1/s1
InChIKeyVAFOMDFEKJWLKJ-OAQYLSRUSA-N
MW551.36 g/mol
LogP6.55
Rot. Bonds10

About (1R)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-N-diphenylphosphoryl-1-phenylmethanamine

(1R)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-N-diphenylphosphoryl-1-phenylmethanamine (PubChem CID 102473571) has the molecular formula C23H21F6NO4P2 and a molecular weight of 551.36 g/mol. Its IUPAC name is (1R)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-N-diphenylphosphoryl-1-phenylmethanamine.

Molecular Properties

Compound Name(1R)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-N-diphenylphosphoryl-1-phenylmethanamine
PubChem CID102473571
Molecular FormulaC23H21F6NO4P2
Molecular Weight551.36 g/mol
Exact Mass551.09
IUPAC Name(1R)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-N-diphenylphosphoryl-1-phenylmethanamine
SMILESO=P(N[C@@H](c1ccccc1)P(=O)(OCC(F)(F)F)OCC(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21F6NO4P2/c24-22(25,26)16-33-36(32,34-17-23(27,28)29)21(18-10-4-1-5-11-18)30-35(31,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,30,31)/t21-/m1/s1
InChIKeyVAFOMDFEKJWLKJ-OAQYLSRUSA-N
XLogP6.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.36
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-N-diphenylphosphoryl-1-phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-N-diphenylphosphoryl-1-phenylmethanamine?
The IUPAC name of (1R)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-N-diphenylphosphoryl-1-phenylmethanamine (CID 102473571) is (1R)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-N-diphenylphosphoryl-1-phenylmethanamine.
What is the SMILES notation for (1R)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-N-diphenylphosphoryl-1-phenylmethanamine?
The canonical SMILES for (1R)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-N-diphenylphosphoryl-1-phenylmethanamine is O=P(N[C@@H](c1ccccc1)P(=O)(OCC(F)(F)F)OCC(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-N-diphenylphosphoryl-1-phenylmethanamine?
The InChIKey is VAFOMDFEKJWLKJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21F6NO4P2/c24-22(25,26)16-33-36(32,34-17-23(27,28)29)21(18-10-4-1-5-11-18)30-35(31,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,30,31)/t21-/m1/s1.
What are the key properties of (1R)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-N-diphenylphosphoryl-1-phenylmethanamine?
(1R)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-N-diphenylphosphoryl-1-phenylmethanamine has a molecular weight of 551.36 g/mol, XLogP of 6.55, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-N-diphenylphosphoryl-1-phenylmethanamine is sourced from PubChem (CID 102473571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).