1-diethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane

C8H10F9O3P — CID 12731015

IUPAC1-diethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane
SMILESCCOP(=O)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F9O3P/c1-3-19-21(18,20-4-2)8(16,17)6(11,12)5(9,10)7(13,14)15/h3-4H2,1-2H3
InChIKeySXRQVPQSAODONG-UHFFFAOYSA-N
MW356.12 g/mol
LogP4.68
Rot. Bonds7

About 1-diethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane

1-diethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane (PubChem CID 12731015) has the molecular formula C8H10F9O3P and a molecular weight of 356.12 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane
PubChem CID12731015
Molecular FormulaC8H10F9O3P
Molecular Weight356.12 g/mol
Exact Mass356.02
IUPAC Name1-diethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane
SMILESCCOP(=O)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F9O3P/c1-3-19-21(18,20-4-2)8(16,17)6(11,12)5(9,10)7(13,14)15/h3-4H2,1-2H3
InChIKeySXRQVPQSAODONG-UHFFFAOYSA-N
XLogP4.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.12
LogP ≤ 54.68
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane?
The IUPAC name of 1-diethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane (CID 12731015) is 1-diethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane.
What is the SMILES notation for 1-diethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane?
The canonical SMILES for 1-diethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane is CCOP(=O)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-diethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane?
The InChIKey is SXRQVPQSAODONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F9O3P/c1-3-19-21(18,20-4-2)8(16,17)6(11,12)5(9,10)7(13,14)15/h3-4H2,1-2H3.
What are the key properties of 1-diethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane?
1-diethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane has a molecular weight of 356.12 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane is sourced from PubChem (CID 12731015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).