ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium

C8H5F13O3P+ — CID 122507209

IUPACethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium
SMILESCCO[P+](=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F13O3P/c1-2-23-25(22)24-8(20,21)6(15,16)4(11,12)3(9,10)5(13,14)7(17,18)19/h2H2,1H3/q+1
InChIKeyICIRYALUVHMBFA-UHFFFAOYSA-N
MW427.07 g/mol
LogP5.39
Rot. Bonds8

About ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium

ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium (PubChem CID 122507209) has the molecular formula C8H5F13O3P+ and a molecular weight of 427.07 g/mol. Its IUPAC name is ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium.

Molecular Properties

Compound Nameethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium
PubChem CID122507209
Molecular FormulaC8H5F13O3P+
Molecular Weight427.07 g/mol
Exact Mass426.98
IUPAC Nameethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium
SMILESCCO[P+](=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F13O3P/c1-2-23-25(22)24-8(20,21)6(15,16)4(11,12)3(9,10)5(13,14)7(17,18)19/h2H2,1H3/q+1
InChIKeyICIRYALUVHMBFA-UHFFFAOYSA-N
XLogP5.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.07
LogP ≤ 55.39
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'}

Analyze ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium;hydride
CID 175432761
1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane
CID 91447807
1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 87277022
CID 157268042
CID 157268042
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl ethanesulfonate
CID 155355131
magnesium;diethoxy(oxo)phosphanium;hydride
CID 175376025
CID 6368648
CID 6368648
sodium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl ethanesulfonate
CID 175088182
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylperoxy)heptane
CID 139654060
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-10-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecoxy)decane
CID 18625066
triethoxy-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)propyl]silane
CID 71410842
ethoxy-hydroperoxy-oxophosphanium
CID 87891677

Frequently Asked Questions

What is the IUPAC name of ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium?
The IUPAC name of ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium (CID 122507209) is ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium.
What is the SMILES notation for ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium?
The canonical SMILES for ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium is CCO[P+](=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium?
The InChIKey is ICIRYALUVHMBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F13O3P/c1-2-23-25(22)24-8(20,21)6(15,16)4(11,12)3(9,10)5(13,14)7(17,18)19/h2H2,1H3/q+1.
What are the key properties of ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium?
ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium has a molecular weight of 427.07 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium is sourced from PubChem (CID 122507209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).