1-diethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane

C7H11F6O3P — CID 23236390

IUPAC1-diethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane
SMILESCCOP(=O)(OCC)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H11F6O3P/c1-3-15-17(14,16-4-2)7(12,13)5(8)6(9,10)11/h5H,3-4H2,1-2H3
InChIKeyOJOPDPFTMNISAP-UHFFFAOYSA-N
MW288.12 g/mol
LogP3.75
Rot. Bonds6

About 1-diethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane

1-diethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane (PubChem CID 23236390) has the molecular formula C7H11F6O3P and a molecular weight of 288.12 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane
PubChem CID23236390
Molecular FormulaC7H11F6O3P
Molecular Weight288.12 g/mol
Exact Mass288.04
IUPAC Name1-diethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane
SMILESCCOP(=O)(OCC)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H11F6O3P/c1-3-15-17(14,16-4-2)7(12,13)5(8)6(9,10)11/h5H,3-4H2,1-2H3
InChIKeyOJOPDPFTMNISAP-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-1,1,2,3,3,3-hexafluoropropane?
The IUPAC name of 1-diethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane (CID 23236390) is 1-diethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane.
What is the SMILES notation for 1-diethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane?
The canonical SMILES for 1-diethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane is CCOP(=O)(OCC)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1-diethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane?
The InChIKey is OJOPDPFTMNISAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F6O3P/c1-3-15-17(14,16-4-2)7(12,13)5(8)6(9,10)11/h5H,3-4H2,1-2H3.
What are the key properties of 1-diethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane?
1-diethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane has a molecular weight of 288.12 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane is sourced from PubChem (CID 23236390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).