2-diphenylphosphoryl-N-di(propan-2-yloxy)phosphoryl-1,1,1,3,3,3-hexafluoropropan-2-amine

C21H25F6NO4P2 — CID 15352789

IUPAC2-diphenylphosphoryl-N-di(propan-2-yloxy)phosphoryl-1,1,1,3,3,3-hexafluoropropan-2-amine
SMILESCC(C)OP(=O)(NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1)OC(C)C
InChIInChI=1S/C21H25F6NO4P2/c1-15(2)31-34(30,32-16(3)4)28-19(20(22,23)24,21(25,26)27)33(29,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3,(H,28,30)
InChIKeyBKMQGZAEIPPMHD-UHFFFAOYSA-N
MW531.37 g/mol
LogP6.37
Rot. Bonds9

About 2-diphenylphosphoryl-N-di(propan-2-yloxy)phosphoryl-1,1,1,3,3,3-hexafluoropropan-2-amine

2-diphenylphosphoryl-N-di(propan-2-yloxy)phosphoryl-1,1,1,3,3,3-hexafluoropropan-2-amine (PubChem CID 15352789) has the molecular formula C21H25F6NO4P2 and a molecular weight of 531.37 g/mol. Its IUPAC name is 2-diphenylphosphoryl-N-di(propan-2-yloxy)phosphoryl-1,1,1,3,3,3-hexafluoropropan-2-amine.

Molecular Properties

Compound Name2-diphenylphosphoryl-N-di(propan-2-yloxy)phosphoryl-1,1,1,3,3,3-hexafluoropropan-2-amine
PubChem CID15352789
Molecular FormulaC21H25F6NO4P2
Molecular Weight531.37 g/mol
Exact Mass531.12
IUPAC Name2-diphenylphosphoryl-N-di(propan-2-yloxy)phosphoryl-1,1,1,3,3,3-hexafluoropropan-2-amine
SMILESCC(C)OP(=O)(NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1)OC(C)C
InChIInChI=1S/C21H25F6NO4P2/c1-15(2)31-34(30,32-16(3)4)28-19(20(22,23)24,21(25,26)27)33(29,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3,(H,28,30)
InChIKeyBKMQGZAEIPPMHD-UHFFFAOYSA-N
XLogP6.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.37
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-N-di(propan-2-yloxy)phosphoryl-1,1,1,3,3,3-hexafluoropropan-2-amine?
The IUPAC name of 2-diphenylphosphoryl-N-di(propan-2-yloxy)phosphoryl-1,1,1,3,3,3-hexafluoropropan-2-amine (CID 15352789) is 2-diphenylphosphoryl-N-di(propan-2-yloxy)phosphoryl-1,1,1,3,3,3-hexafluoropropan-2-amine.
What is the SMILES notation for 2-diphenylphosphoryl-N-di(propan-2-yloxy)phosphoryl-1,1,1,3,3,3-hexafluoropropan-2-amine?
The canonical SMILES for 2-diphenylphosphoryl-N-di(propan-2-yloxy)phosphoryl-1,1,1,3,3,3-hexafluoropropan-2-amine is CC(C)OP(=O)(NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1)OC(C)C.
What is the InChIKey of 2-diphenylphosphoryl-N-di(propan-2-yloxy)phosphoryl-1,1,1,3,3,3-hexafluoropropan-2-amine?
The InChIKey is BKMQGZAEIPPMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F6NO4P2/c1-15(2)31-34(30,32-16(3)4)28-19(20(22,23)24,21(25,26)27)33(29,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3,(H,28,30).
What are the key properties of 2-diphenylphosphoryl-N-di(propan-2-yloxy)phosphoryl-1,1,1,3,3,3-hexafluoropropan-2-amine?
2-diphenylphosphoryl-N-di(propan-2-yloxy)phosphoryl-1,1,1,3,3,3-hexafluoropropan-2-amine has a molecular weight of 531.37 g/mol, XLogP of 6.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-N-di(propan-2-yloxy)phosphoryl-1,1,1,3,3,3-hexafluoropropan-2-amine is sourced from PubChem (CID 15352789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).