bis[bis(trifluoromethylsulfonyl)amino]-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]alumanuide

C18H30AlF12N2O16S4- — CID 177471617

IUPACbis[bis(trifluoromethylsulfonyl)amino]-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]alumanuide
SMILESCOCCOCCOCCO[Al-](OCCOCCOCCOC)(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/2C7H15O4.2C2F6NO4S2.Al/c2*1-9-4-5-11-7-6-10-3-2-8;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h2*2-7H2,1H3;;;/q4*-1;+3
InChIKeyFRYPNJKDDHGCJE-UHFFFAOYSA-N
MW913.66 g/mol
LogP0.82
Rot. Bonds26

About bis[bis(trifluoromethylsulfonyl)amino]-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]alumanuide

bis[bis(trifluoromethylsulfonyl)amino]-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]alumanuide (PubChem CID 177471617) has the molecular formula C18H30AlF12N2O16S4- and a molecular weight of 913.66 g/mol. Its IUPAC name is bis[bis(trifluoromethylsulfonyl)amino]-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]alumanuide.

Molecular Properties

Compound Namebis[bis(trifluoromethylsulfonyl)amino]-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]alumanuide
PubChem CID177471617
Molecular FormulaC18H30AlF12N2O16S4-
Molecular Weight913.66 g/mol
Exact Mass913.01
IUPAC Namebis[bis(trifluoromethylsulfonyl)amino]-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]alumanuide
SMILESCOCCOCCOCCO[Al-](OCCOCCOCCOC)(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/2C7H15O4.2C2F6NO4S2.Al/c2*1-9-4-5-11-7-6-10-3-2-8;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h2*2-7H2,1H3;;;/q4*-1;+3
InChIKeyFRYPNJKDDHGCJE-UHFFFAOYSA-N
XLogP0.82
TPSA216.88 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.66
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[bis(trifluoromethylsulfonyl)amino]-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]alumanuide?
The IUPAC name of bis[bis(trifluoromethylsulfonyl)amino]-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]alumanuide (CID 177471617) is bis[bis(trifluoromethylsulfonyl)amino]-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]alumanuide.
What is the SMILES notation for bis[bis(trifluoromethylsulfonyl)amino]-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]alumanuide?
The canonical SMILES for bis[bis(trifluoromethylsulfonyl)amino]-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]alumanuide is COCCOCCOCCO[Al-](OCCOCCOCCOC)(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of bis[bis(trifluoromethylsulfonyl)amino]-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]alumanuide?
The InChIKey is FRYPNJKDDHGCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15O4.2C2F6NO4S2.Al/c2*1-9-4-5-11-7-6-10-3-2-8;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h2*2-7H2,1H3;;;/q4*-1;+3.
What are the key properties of bis[bis(trifluoromethylsulfonyl)amino]-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]alumanuide?
bis[bis(trifluoromethylsulfonyl)amino]-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]alumanuide has a molecular weight of 913.66 g/mol, XLogP of 0.82, 26 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis(trifluoromethylsulfonyl)amino]-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]alumanuide is sourced from PubChem (CID 177471617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).