1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one

C11H16F7O4P — CID 134875405

IUPAC1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one
SMILESCC(C)OP(=O)(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)OC(C)C
InChIInChI=1S/C11H16F7O4P/c1-6(2)21-23(20,22-7(3)4)5-8(19)9(12,13)10(14,15)11(16,17)18/h6-7H,5H2,1-4H3
InChIKeyGVSAYQWVDWXIAT-UHFFFAOYSA-N
MW376.21 g/mol
LogP4.43
Rot. Bonds8

About 1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one

1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one (PubChem CID 134875405) has the molecular formula C11H16F7O4P and a molecular weight of 376.21 g/mol. Its IUPAC name is 1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one.

Molecular Properties

Compound Name1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one
PubChem CID134875405
Molecular FormulaC11H16F7O4P
Molecular Weight376.21 g/mol
Exact Mass376.07
IUPAC Name1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one
SMILESCC(C)OP(=O)(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)OC(C)C
InChIInChI=1S/C11H16F7O4P/c1-6(2)21-23(20,22-7(3)4)5-8(19)9(12,13)10(14,15)11(16,17)18/h6-7H,5H2,1-4H3
InChIKeyGVSAYQWVDWXIAT-UHFFFAOYSA-N
XLogP4.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', '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-heptafluoropentan-2-one?
The IUPAC name of 1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one (CID 134875405) is 1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one.
What is the SMILES notation for 1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one?
The canonical SMILES for 1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one is CC(C)OP(=O)(CC(=O)C(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-heptafluoropentan-2-one?
The InChIKey is GVSAYQWVDWXIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F7O4P/c1-6(2)21-23(20,22-7(3)4)5-8(19)9(12,13)10(14,15)11(16,17)18/h6-7H,5H2,1-4H3.
What are the key properties of 1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one?
1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one has a molecular weight of 376.21 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 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-heptafluoropentan-2-one is sourced from PubChem (CID 134875405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).