lithium 3-methoxypropyl(trifluoromethylsulfonyl)azanide

C5H9F3LiNO3S — CID 15859452

IUPAClithium 3-methoxypropyl(trifluoromethylsulfonyl)azanide
SMILESCOCCC[N-]S(=O)(=O)C(F)(F)F.[Li+]
InChIInChI=1S/C5H9F3NO3S.Li/c1-12-4-2-3-9-13(10,11)5(6,7)8;/h2-4H2,1H3;/q-1;+1
InChIKeyFKGWGKBKHQCMIL-UHFFFAOYSA-N
MW227.13 g/mol
LogP-1.75
Rot. Bonds5

About lithium 3-methoxypropyl(trifluoromethylsulfonyl)azanide

lithium 3-methoxypropyl(trifluoromethylsulfonyl)azanide (PubChem CID 15859452) has the molecular formula C5H9F3LiNO3S and a molecular weight of 227.13 g/mol. Its IUPAC name is lithium 3-methoxypropyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namelithium 3-methoxypropyl(trifluoromethylsulfonyl)azanide
PubChem CID15859452
Molecular FormulaC5H9F3LiNO3S
Molecular Weight227.13 g/mol
Exact Mass227.04
IUPAC Namelithium 3-methoxypropyl(trifluoromethylsulfonyl)azanide
SMILESCOCCC[N-]S(=O)(=O)C(F)(F)F.[Li+]
InChIInChI=1S/C5H9F3NO3S.Li/c1-12-4-2-3-9-13(10,11)5(6,7)8;/h2-4H2,1H3;/q-1;+1
InChIKeyFKGWGKBKHQCMIL-UHFFFAOYSA-N
XLogP-1.75
TPSA57.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 5-1.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 lithium 3-methoxypropyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of lithium 3-methoxypropyl(trifluoromethylsulfonyl)azanide (CID 15859452) is lithium 3-methoxypropyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for lithium 3-methoxypropyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for lithium 3-methoxypropyl(trifluoromethylsulfonyl)azanide is COCCC[N-]S(=O)(=O)C(F)(F)F.[Li+].
What is the InChIKey of lithium 3-methoxypropyl(trifluoromethylsulfonyl)azanide?
The InChIKey is FKGWGKBKHQCMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3NO3S.Li/c1-12-4-2-3-9-13(10,11)5(6,7)8;/h2-4H2,1H3;/q-1;+1.
What are the key properties of lithium 3-methoxypropyl(trifluoromethylsulfonyl)azanide?
lithium 3-methoxypropyl(trifluoromethylsulfonyl)azanide has a molecular weight of 227.13 g/mol, XLogP of -1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-methoxypropyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 15859452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).