6-diethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluorohexane

C10H15F8O3P — CID 11122104

IUPAC6-diethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluorohexane
SMILESCCOP(=O)(CCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCC
InChIInChI=1S/C10H15F8O3P/c1-3-20-22(19,21-4-2)6-5-8(13,14)10(17,18)9(15,16)7(11)12/h7H,3-6H2,1-2H3
InChIKeyKPALENHSLZIKAX-UHFFFAOYSA-N
MW366.19 g/mol
LogP4.81
Rot. Bonds10

About 6-diethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluorohexane

6-diethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluorohexane (PubChem CID 11122104) has the molecular formula C10H15F8O3P and a molecular weight of 366.19 g/mol. Its IUPAC name is 6-diethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluorohexane.

Molecular Properties

Compound Name6-diethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluorohexane
PubChem CID11122104
Molecular FormulaC10H15F8O3P
Molecular Weight366.19 g/mol
Exact Mass366.06
IUPAC Name6-diethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluorohexane
SMILESCCOP(=O)(CCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCC
InChIInChI=1S/C10H15F8O3P/c1-3-20-22(19,21-4-2)6-5-8(13,14)10(17,18)9(15,16)7(11)12/h7H,3-6H2,1-2H3
InChIKeyKPALENHSLZIKAX-UHFFFAOYSA-N
XLogP4.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.19
LogP ≤ 54.81
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 6-diethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluorohexane?
The IUPAC name of 6-diethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluorohexane (CID 11122104) is 6-diethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluorohexane.
What is the SMILES notation for 6-diethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluorohexane?
The canonical SMILES for 6-diethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluorohexane is CCOP(=O)(CCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCC.
What is the InChIKey of 6-diethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluorohexane?
The InChIKey is KPALENHSLZIKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F8O3P/c1-3-20-22(19,21-4-2)6-5-8(13,14)10(17,18)9(15,16)7(11)12/h7H,3-6H2,1-2H3.
What are the key properties of 6-diethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluorohexane?
6-diethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluorohexane has a molecular weight of 366.19 g/mol, XLogP of 4.81, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluorohexane is sourced from PubChem (CID 11122104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).