dilithium;bis(fluorosulfonyl)azanide;1-bromopropane;tris(1-methyl-1-propylpyrrolidin-1-ium);1-methylpyrrolidine;tribromide

C32H72Br4F4Li2N6O8S4 — CID 160797071

IUPACdilithium;bis(fluorosulfonyl)azanide;1-bromopropane;tris(1-methyl-1-propylpyrrolidin-1-ium);1-methylpyrrolidine;tribromide
SMILESCCCBr.CCC[N+]1(C)CCCC1.CCC[N+]1(C)CCCC1.CCC[N+]1(C)CCCC1.CN1CCCC1.O=S(=O)(F)[N-]S(=O)(=O)F.O=S(=O)(F)[N-]S(=O)(=O)F.[Br-].[Br-].[Br-].[Li+].[Li+]
InChIInChI=1S/3C8H18N.C5H11N.C3H7Br.3BrH.2F2NO4S2.2Li/c3*1-3-6-9(2)7-4-5-8-9;1-6-4-2-3-5-6;1-2-3-4;;;;2*1-8(4,5)3-9(2,6)7;;/h3*3-8H2,1-2H3;2-5H2,1H3;2-3H2,1H3;3*1H;;;;/q3*+1;;;;;;2*-1;2*+1/p-3
InChIKeyRZMOWTCIMGHFNA-UHFFFAOYSA-K
MW1206.72 g/mol
LogP-7.99
Rot. Bonds11

About dilithium;bis(fluorosulfonyl)azanide;1-bromopropane;tris(1-methyl-1-propylpyrrolidin-1-ium);1-methylpyrrolidine;tribromide

dilithium;bis(fluorosulfonyl)azanide;1-bromopropane;tris(1-methyl-1-propylpyrrolidin-1-ium);1-methylpyrrolidine;tribromide (PubChem CID 160797071) has the molecular formula C32H72Br4F4Li2N6O8S4 and a molecular weight of 1206.72 g/mol. Its IUPAC name is dilithium;bis(fluorosulfonyl)azanide;1-bromopropane;tris(1-methyl-1-propylpyrrolidin-1-ium);1-methylpyrrolidine;tribromide.

Molecular Properties

Compound Namedilithium;bis(fluorosulfonyl)azanide;1-bromopropane;tris(1-methyl-1-propylpyrrolidin-1-ium);1-methylpyrrolidine;tribromide
PubChem CID160797071
Molecular FormulaC32H72Br4F4Li2N6O8S4
Molecular Weight1206.72 g/mol
Exact Mass1202.13
IUPAC Namedilithium;bis(fluorosulfonyl)azanide;1-bromopropane;tris(1-methyl-1-propylpyrrolidin-1-ium);1-methylpyrrolidine;tribromide
SMILESCCCBr.CCC[N+]1(C)CCCC1.CCC[N+]1(C)CCCC1.CCC[N+]1(C)CCCC1.CN1CCCC1.O=S(=O)(F)[N-]S(=O)(=O)F.O=S(=O)(F)[N-]S(=O)(=O)F.[Br-].[Br-].[Br-].[Li+].[Li+]
InChIInChI=1S/3C8H18N.C5H11N.C3H7Br.3BrH.2F2NO4S2.2Li/c3*1-3-6-9(2)7-4-5-8-9;1-6-4-2-3-5-6;1-2-3-4;;;;2*1-8(4,5)3-9(2,6)7;;/h3*3-8H2,1-2H3;2-5H2,1H3;2-3H2,1H3;3*1H;;;;/q3*+1;;;;;;2*-1;2*+1/p-3
InChIKeyRZMOWTCIMGHFNA-UHFFFAOYSA-K
XLogP-7.99
TPSA168.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001206.72
LogP ≤ 5-7.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dilithium;bis(fluorosulfonyl)azanide;1-bromopropane;tris(1-methyl-1-propylpyrrolidin-1-ium);1-methylpyrrolidine;tribromide?
The IUPAC name of dilithium;bis(fluorosulfonyl)azanide;1-bromopropane;tris(1-methyl-1-propylpyrrolidin-1-ium);1-methylpyrrolidine;tribromide (CID 160797071) is dilithium;bis(fluorosulfonyl)azanide;1-bromopropane;tris(1-methyl-1-propylpyrrolidin-1-ium);1-methylpyrrolidine;tribromide.
What is the SMILES notation for dilithium;bis(fluorosulfonyl)azanide;1-bromopropane;tris(1-methyl-1-propylpyrrolidin-1-ium);1-methylpyrrolidine;tribromide?
The canonical SMILES for dilithium;bis(fluorosulfonyl)azanide;1-bromopropane;tris(1-methyl-1-propylpyrrolidin-1-ium);1-methylpyrrolidine;tribromide is CCCBr.CCC[N+]1(C)CCCC1.CCC[N+]1(C)CCCC1.CCC[N+]1(C)CCCC1.CN1CCCC1.O=S(=O)(F)[N-]S(=O)(=O)F.O=S(=O)(F)[N-]S(=O)(=O)F.[Br-].[Br-].[Br-].[Li+].[Li+].
What is the InChIKey of dilithium;bis(fluorosulfonyl)azanide;1-bromopropane;tris(1-methyl-1-propylpyrrolidin-1-ium);1-methylpyrrolidine;tribromide?
The InChIKey is RZMOWTCIMGHFNA-UHFFFAOYSA-K. The full InChI is InChI=1S/3C8H18N.C5H11N.C3H7Br.3BrH.2F2NO4S2.2Li/c3*1-3-6-9(2)7-4-5-8-9;1-6-4-2-3-5-6;1-2-3-4;;;;2*1-8(4,5)3-9(2,6)7;;/h3*3-8H2,1-2H3;2-5H2,1H3;2-3H2,1H3;3*1H;;;;/q3*+1;;;;;;2*-1;2*+1/p-3.
What are the key properties of dilithium;bis(fluorosulfonyl)azanide;1-bromopropane;tris(1-methyl-1-propylpyrrolidin-1-ium);1-methylpyrrolidine;tribromide?
dilithium;bis(fluorosulfonyl)azanide;1-bromopropane;tris(1-methyl-1-propylpyrrolidin-1-ium);1-methylpyrrolidine;tribromide has a molecular weight of 1206.72 g/mol, XLogP of -7.99, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;bis(fluorosulfonyl)azanide;1-bromopropane;tris(1-methyl-1-propylpyrrolidin-1-ium);1-methylpyrrolidine;tribromide is sourced from PubChem (CID 160797071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).