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

C8H6F13NaO3P+ — CID 175432761

IUPACsodium;ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium;hydride
SMILESCCO[P+](=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[H-].[Na+]
InChIInChI=1S/C8H5F13O3P.Na.H/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;;/q2*+1;-1
InChIKeyLVOAUXGKTXPCAK-UHFFFAOYSA-N
MW451.07 g/mol
LogP2.51
Rot. Bonds8

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

sodium;ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium;hydride (PubChem CID 175432761) has the molecular formula C8H6F13NaO3P+ and a molecular weight of 451.07 g/mol. Its IUPAC name is sodium;ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium;hydride.

Molecular Properties

Compound Namesodium;ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium;hydride
PubChem CID175432761
Molecular FormulaC8H6F13NaO3P+
Molecular Weight451.07 g/mol
Exact Mass450.97
IUPAC Namesodium;ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium;hydride
SMILESCCO[P+](=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[H-].[Na+]
InChIInChI=1S/C8H5F13O3P.Na.H/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;;/q2*+1;-1
InChIKeyLVOAUXGKTXPCAK-UHFFFAOYSA-N
XLogP2.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.07
LogP ≤ 52.51
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 sodium;ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium;hydride 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

ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium
CID 122507209
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
sodium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl ethanesulfonate
CID 175088182
magnesium;diethoxy(oxo)phosphanium;hydride
CID 175376025
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;ethoxy-methoxy-oxophosphanium;hydride
CID 175376011
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl trimethyl silicate
CID 175043271
CID 6368648
CID 6368648
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

Frequently Asked Questions

What is the IUPAC name of sodium;ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium;hydride?
The IUPAC name of sodium;ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium;hydride (CID 175432761) is sodium;ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium;hydride.
What is the SMILES notation for sodium;ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium;hydride?
The canonical SMILES for sodium;ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium;hydride is CCO[P+](=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[H-].[Na+].
What is the InChIKey of sodium;ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium;hydride?
The InChIKey is LVOAUXGKTXPCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F13O3P.Na.H/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;;/q2*+1;-1.
What are the key properties of sodium;ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium;hydride?
sodium;ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium;hydride has a molecular weight of 451.07 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium;hydride is sourced from PubChem (CID 175432761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).