bis[di(propan-2-yl)amino]phosphanyl trifluoromethanesulfonate

C13H28F3N2O3PS — CID 11057995

IUPACbis[di(propan-2-yl)amino]phosphanyl trifluoromethanesulfonate
SMILESCC(C)N(C(C)C)P(OS(=O)(=O)C(F)(F)F)N(C(C)C)C(C)C
InChIInChI=1S/C13H28F3N2O3PS/c1-9(2)17(10(3)4)22(18(11(5)6)12(7)8)21-23(19,20)13(14,15)16/h9-12H,1-8H3
InChIKeyBOAYDLLLLRIDAD-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.32
Rot. Bonds8

About bis[di(propan-2-yl)amino]phosphanyl trifluoromethanesulfonate

bis[di(propan-2-yl)amino]phosphanyl trifluoromethanesulfonate (PubChem CID 11057995) has the molecular formula C13H28F3N2O3PS and a molecular weight of 380.41 g/mol. Its IUPAC name is bis[di(propan-2-yl)amino]phosphanyl trifluoromethanesulfonate.

Molecular Properties

Compound Namebis[di(propan-2-yl)amino]phosphanyl trifluoromethanesulfonate
PubChem CID11057995
Molecular FormulaC13H28F3N2O3PS
Molecular Weight380.41 g/mol
Exact Mass380.15
IUPAC Namebis[di(propan-2-yl)amino]phosphanyl trifluoromethanesulfonate
SMILESCC(C)N(C(C)C)P(OS(=O)(=O)C(F)(F)F)N(C(C)C)C(C)C
InChIInChI=1S/C13H28F3N2O3PS/c1-9(2)17(10(3)4)22(18(11(5)6)12(7)8)21-23(19,20)13(14,15)16/h9-12H,1-8H3
InChIKeyBOAYDLLLLRIDAD-UHFFFAOYSA-N
XLogP4.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis[di(propan-2-yl)amino]phosphanyl trifluoromethanesulfonate 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 bis[di(propan-2-yl)amino]phosphanyl trifluoromethanesulfonate?
The IUPAC name of bis[di(propan-2-yl)amino]phosphanyl trifluoromethanesulfonate (CID 11057995) is bis[di(propan-2-yl)amino]phosphanyl trifluoromethanesulfonate.
What is the SMILES notation for bis[di(propan-2-yl)amino]phosphanyl trifluoromethanesulfonate?
The canonical SMILES for bis[di(propan-2-yl)amino]phosphanyl trifluoromethanesulfonate is CC(C)N(C(C)C)P(OS(=O)(=O)C(F)(F)F)N(C(C)C)C(C)C.
What is the InChIKey of bis[di(propan-2-yl)amino]phosphanyl trifluoromethanesulfonate?
The InChIKey is BOAYDLLLLRIDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28F3N2O3PS/c1-9(2)17(10(3)4)22(18(11(5)6)12(7)8)21-23(19,20)13(14,15)16/h9-12H,1-8H3.
What are the key properties of bis[di(propan-2-yl)amino]phosphanyl trifluoromethanesulfonate?
bis[di(propan-2-yl)amino]phosphanyl trifluoromethanesulfonate has a molecular weight of 380.41 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[di(propan-2-yl)amino]phosphanyl trifluoromethanesulfonate is sourced from PubChem (CID 11057995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).