bis(trifluoromethylsulfonyl)azanide;triethyl-[2-(2-methoxyethoxy)ethoxymethyl]phosphanium

C14H28F6NO7PS2 — CID 157472918

IUPACbis(trifluoromethylsulfonyl)azanide;triethyl-[2-(2-methoxyethoxy)ethoxymethyl]phosphanium
SMILESCC[P+](CC)(CC)COCCOCCOC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H28O3P.C2F6NO4S2/c1-5-16(6-2,7-3)12-15-11-10-14-9-8-13-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-12H2,1-4H3;/q+1;-1
InChIKeyBVGGWSSHMWHSSP-UHFFFAOYSA-N
MW531.47 g/mol
LogP3.76
Rot. Bonds13

About bis(trifluoromethylsulfonyl)azanide;triethyl-[2-(2-methoxyethoxy)ethoxymethyl]phosphanium

bis(trifluoromethylsulfonyl)azanide;triethyl-[2-(2-methoxyethoxy)ethoxymethyl]phosphanium (PubChem CID 157472918) has the molecular formula C14H28F6NO7PS2 and a molecular weight of 531.47 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;triethyl-[2-(2-methoxyethoxy)ethoxymethyl]phosphanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;triethyl-[2-(2-methoxyethoxy)ethoxymethyl]phosphanium
PubChem CID157472918
Molecular FormulaC14H28F6NO7PS2
Molecular Weight531.47 g/mol
Exact Mass531.09
IUPAC Namebis(trifluoromethylsulfonyl)azanide;triethyl-[2-(2-methoxyethoxy)ethoxymethyl]phosphanium
SMILESCC[P+](CC)(CC)COCCOCCOC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H28O3P.C2F6NO4S2/c1-5-16(6-2,7-3)12-15-11-10-14-9-8-13-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-12H2,1-4H3;/q+1;-1
InChIKeyBVGGWSSHMWHSSP-UHFFFAOYSA-N
XLogP3.76
TPSA110.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis(trifluoromethylsulfonyl)azanide;triethyl-[2-(2-methoxyethoxy)ethoxymethyl]phosphanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;triethyl-[2-(2-methoxyethoxy)ethoxymethyl]phosphanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;triethyl-[2-(2-methoxyethoxy)ethoxymethyl]phosphanium (CID 157472918) is bis(trifluoromethylsulfonyl)azanide;triethyl-[2-(2-methoxyethoxy)ethoxymethyl]phosphanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;triethyl-[2-(2-methoxyethoxy)ethoxymethyl]phosphanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;triethyl-[2-(2-methoxyethoxy)ethoxymethyl]phosphanium is CC[P+](CC)(CC)COCCOCCOC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;triethyl-[2-(2-methoxyethoxy)ethoxymethyl]phosphanium?
The InChIKey is BVGGWSSHMWHSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3P.C2F6NO4S2/c1-5-16(6-2,7-3)12-15-11-10-14-9-8-13-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-12H2,1-4H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;triethyl-[2-(2-methoxyethoxy)ethoxymethyl]phosphanium?
bis(trifluoromethylsulfonyl)azanide;triethyl-[2-(2-methoxyethoxy)ethoxymethyl]phosphanium has a molecular weight of 531.47 g/mol, XLogP of 3.76, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;triethyl-[2-(2-methoxyethoxy)ethoxymethyl]phosphanium is sourced from PubChem (CID 157472918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).