tri(propan-2-yl)-(2,2,2-trifluoroacetyl)oxyphosphanium

C11H21F3O2P+ — CID 57090971

IUPACtri(propan-2-yl)-(2,2,2-trifluoroacetyl)oxyphosphanium
SMILESCC(C)[P+](OC(=O)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C11H21F3O2P/c1-7(2)17(8(3)4,9(5)6)16-10(15)11(12,13)14/h7-9H,1-6H3/q+1
InChIKeyHQMZDKLAPKRHKU-UHFFFAOYSA-N
MW273.26 g/mol
LogP4.25
Rot. Bonds4

About tri(propan-2-yl)-(2,2,2-trifluoroacetyl)oxyphosphanium

tri(propan-2-yl)-(2,2,2-trifluoroacetyl)oxyphosphanium (PubChem CID 57090971) has the molecular formula C11H21F3O2P+ and a molecular weight of 273.26 g/mol. Its IUPAC name is tri(propan-2-yl)-(2,2,2-trifluoroacetyl)oxyphosphanium.

Molecular Properties

Compound Nametri(propan-2-yl)-(2,2,2-trifluoroacetyl)oxyphosphanium
PubChem CID57090971
Molecular FormulaC11H21F3O2P+
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC Nametri(propan-2-yl)-(2,2,2-trifluoroacetyl)oxyphosphanium
SMILESCC(C)[P+](OC(=O)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C11H21F3O2P/c1-7(2)17(8(3)4,9(5)6)16-10(15)11(12,13)14/h7-9H,1-6H3/q+1
InChIKeyHQMZDKLAPKRHKU-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-(2,2,2-trifluoroacetyl)oxyphosphanium?
The IUPAC name of tri(propan-2-yl)-(2,2,2-trifluoroacetyl)oxyphosphanium (CID 57090971) is tri(propan-2-yl)-(2,2,2-trifluoroacetyl)oxyphosphanium.
What is the SMILES notation for tri(propan-2-yl)-(2,2,2-trifluoroacetyl)oxyphosphanium?
The canonical SMILES for tri(propan-2-yl)-(2,2,2-trifluoroacetyl)oxyphosphanium is CC(C)[P+](OC(=O)C(F)(F)F)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-(2,2,2-trifluoroacetyl)oxyphosphanium?
The InChIKey is HQMZDKLAPKRHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O2P/c1-7(2)17(8(3)4,9(5)6)16-10(15)11(12,13)14/h7-9H,1-6H3/q+1.
What are the key properties of tri(propan-2-yl)-(2,2,2-trifluoroacetyl)oxyphosphanium?
tri(propan-2-yl)-(2,2,2-trifluoroacetyl)oxyphosphanium has a molecular weight of 273.26 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-(2,2,2-trifluoroacetyl)oxyphosphanium is sourced from PubChem (CID 57090971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).