5-dimethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluoropentane

C7H9F8O3P — CID 23271363

IUPAC5-dimethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluoropentane
SMILESCOP(=O)(CC(F)(F)C(F)(F)C(F)(F)C(F)F)OC
InChIInChI=1S/C7H9F8O3P/c1-17-19(16,18-2)3-5(10,11)7(14,15)6(12,13)4(8)9/h4H,3H2,1-2H3
InChIKeyXPIZPZRRDIKDSS-UHFFFAOYSA-N
MW324.10 g/mol
LogP3.64
Rot. Bonds7

About 5-dimethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluoropentane

5-dimethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluoropentane (PubChem CID 23271363) has the molecular formula C7H9F8O3P and a molecular weight of 324.10 g/mol. Its IUPAC name is 5-dimethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluoropentane.

Molecular Properties

Compound Name5-dimethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluoropentane
PubChem CID23271363
Molecular FormulaC7H9F8O3P
Molecular Weight324.10 g/mol
Exact Mass324.02
IUPAC Name5-dimethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluoropentane
SMILESCOP(=O)(CC(F)(F)C(F)(F)C(F)(F)C(F)F)OC
InChIInChI=1S/C7H9F8O3P/c1-17-19(16,18-2)3-5(10,11)7(14,15)6(12,13)4(8)9/h4H,3H2,1-2H3
InChIKeyXPIZPZRRDIKDSS-UHFFFAOYSA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.10
LogP ≤ 53.64
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 5-dimethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluoropentane?
The IUPAC name of 5-dimethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluoropentane (CID 23271363) is 5-dimethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluoropentane.
What is the SMILES notation for 5-dimethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluoropentane?
The canonical SMILES for 5-dimethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluoropentane is COP(=O)(CC(F)(F)C(F)(F)C(F)(F)C(F)F)OC.
What is the InChIKey of 5-dimethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluoropentane?
The InChIKey is XPIZPZRRDIKDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F8O3P/c1-17-19(16,18-2)3-5(10,11)7(14,15)6(12,13)4(8)9/h4H,3H2,1-2H3.
What are the key properties of 5-dimethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluoropentane?
5-dimethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluoropentane has a molecular weight of 324.10 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dimethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluoropentane is sourced from PubChem (CID 23271363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).