1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-yne

C11H14F7O3P — CID 134922874

IUPAC1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-yne
SMILESCC(C)OP(=O)(C#CC(F)(F)C(F)(F)C(F)(F)F)OC(C)C
InChIInChI=1S/C11H14F7O3P/c1-7(2)20-22(19,21-8(3)4)6-5-9(12,13)10(14,15)11(16,17)18/h7-8H,1-4H3
InChIKeyHRRHKJYIMKXCGQ-UHFFFAOYSA-N
MW358.19 g/mol
LogP4.82
Rot. Bonds5

About 1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-yne

1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-yne (PubChem CID 134922874) has the molecular formula C11H14F7O3P and a molecular weight of 358.19 g/mol. Its IUPAC name is 1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-yne.

Molecular Properties

Compound Name1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-yne
PubChem CID134922874
Molecular FormulaC11H14F7O3P
Molecular Weight358.19 g/mol
Exact Mass358.06
IUPAC Name1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-yne
SMILESCC(C)OP(=O)(C#CC(F)(F)C(F)(F)C(F)(F)F)OC(C)C
InChIInChI=1S/C11H14F7O3P/c1-7(2)20-22(19,21-8(3)4)6-5-9(12,13)10(14,15)11(16,17)18/h7-8H,1-4H3
InChIKeyHRRHKJYIMKXCGQ-UHFFFAOYSA-N
XLogP4.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-yne?
The IUPAC name of 1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-yne (CID 134922874) is 1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-yne.
What is the SMILES notation for 1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-yne?
The canonical SMILES for 1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-yne is CC(C)OP(=O)(C#CC(F)(F)C(F)(F)C(F)(F)F)OC(C)C.
What is the InChIKey of 1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-yne?
The InChIKey is HRRHKJYIMKXCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F7O3P/c1-7(2)20-22(19,21-8(3)4)6-5-9(12,13)10(14,15)11(16,17)18/h7-8H,1-4H3.
What are the key properties of 1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-yne?
1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-yne has a molecular weight of 358.19 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-yne is sourced from PubChem (CID 134922874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).