1-diethoxyphosphoryl-1,1,3,3,3-pentafluoropropan-2-one

C7H10F5O4P — CID 15306692

IUPAC1-diethoxyphosphoryl-1,1,3,3,3-pentafluoropropan-2-one
SMILESCCOP(=O)(OCC)C(F)(F)C(=O)C(F)(F)F
InChIInChI=1S/C7H10F5O4P/c1-3-15-17(14,16-4-2)7(11,12)5(13)6(8,9)10/h3-4H2,1-2H3
InChIKeyXUIPRKNIZQAFIZ-UHFFFAOYSA-N
MW284.12 g/mol
LogP2.98
Rot. Bonds6

About 1-diethoxyphosphoryl-1,1,3,3,3-pentafluoropropan-2-one

1-diethoxyphosphoryl-1,1,3,3,3-pentafluoropropan-2-one (PubChem CID 15306692) has the molecular formula C7H10F5O4P and a molecular weight of 284.12 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1,1,3,3,3-pentafluoropropan-2-one.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1,1,3,3,3-pentafluoropropan-2-one
PubChem CID15306692
Molecular FormulaC7H10F5O4P
Molecular Weight284.12 g/mol
Exact Mass284.02
IUPAC Name1-diethoxyphosphoryl-1,1,3,3,3-pentafluoropropan-2-one
SMILESCCOP(=O)(OCC)C(F)(F)C(=O)C(F)(F)F
InChIInChI=1S/C7H10F5O4P/c1-3-15-17(14,16-4-2)7(11,12)5(13)6(8,9)10/h3-4H2,1-2H3
InChIKeyXUIPRKNIZQAFIZ-UHFFFAOYSA-N
XLogP2.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 52.98
H-Bond Donors ≤ 50
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 1-diethoxyphosphoryl-1,1,3,3,3-pentafluoropropan-2-one?
The IUPAC name of 1-diethoxyphosphoryl-1,1,3,3,3-pentafluoropropan-2-one (CID 15306692) is 1-diethoxyphosphoryl-1,1,3,3,3-pentafluoropropan-2-one.
What is the SMILES notation for 1-diethoxyphosphoryl-1,1,3,3,3-pentafluoropropan-2-one?
The canonical SMILES for 1-diethoxyphosphoryl-1,1,3,3,3-pentafluoropropan-2-one is CCOP(=O)(OCC)C(F)(F)C(=O)C(F)(F)F.
What is the InChIKey of 1-diethoxyphosphoryl-1,1,3,3,3-pentafluoropropan-2-one?
The InChIKey is XUIPRKNIZQAFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F5O4P/c1-3-15-17(14,16-4-2)7(11,12)5(13)6(8,9)10/h3-4H2,1-2H3.
What are the key properties of 1-diethoxyphosphoryl-1,1,3,3,3-pentafluoropropan-2-one?
1-diethoxyphosphoryl-1,1,3,3,3-pentafluoropropan-2-one has a molecular weight of 284.12 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1,1,3,3,3-pentafluoropropan-2-one is sourced from PubChem (CID 15306692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).