lithium;hydride;1,1,1-trifluoro-N-(4-hydroxybutyl)methanesulfonamide

C5H11F3LiNO3S — CID 175057873

IUPAClithium;hydride;1,1,1-trifluoro-N-(4-hydroxybutyl)methanesulfonamide
SMILESO=S(=O)(NCCCCO)C(F)(F)F.[H-].[Li+]
InChIInChI=1S/C5H10F3NO3S.Li.H/c6-5(7,8)13(11,12)9-3-1-2-4-10;;/h9-10H,1-4H2;;/q;+1;-1
InChIKeyAKZHDKOXWRDNEA-UHFFFAOYSA-N
MW229.15 g/mol
LogP-2.69
Rot. Bonds5

About lithium;hydride;1,1,1-trifluoro-N-(4-hydroxybutyl)methanesulfonamide

lithium;hydride;1,1,1-trifluoro-N-(4-hydroxybutyl)methanesulfonamide (PubChem CID 175057873) has the molecular formula C5H11F3LiNO3S and a molecular weight of 229.15 g/mol. Its IUPAC name is lithium;hydride;1,1,1-trifluoro-N-(4-hydroxybutyl)methanesulfonamide.

Molecular Properties

Compound Namelithium;hydride;1,1,1-trifluoro-N-(4-hydroxybutyl)methanesulfonamide
PubChem CID175057873
Molecular FormulaC5H11F3LiNO3S
Molecular Weight229.15 g/mol
Exact Mass229.06
IUPAC Namelithium;hydride;1,1,1-trifluoro-N-(4-hydroxybutyl)methanesulfonamide
SMILESO=S(=O)(NCCCCO)C(F)(F)F.[H-].[Li+]
InChIInChI=1S/C5H10F3NO3S.Li.H/c6-5(7,8)13(11,12)9-3-1-2-4-10;;/h9-10H,1-4H2;;/q;+1;-1
InChIKeyAKZHDKOXWRDNEA-UHFFFAOYSA-N
XLogP-2.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 5-2.69
H-Bond Donors ≤ 52
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;hydride;1,1,1-trifluoro-N-(4-hydroxybutyl)methanesulfonamide?
The IUPAC name of lithium;hydride;1,1,1-trifluoro-N-(4-hydroxybutyl)methanesulfonamide (CID 175057873) is lithium;hydride;1,1,1-trifluoro-N-(4-hydroxybutyl)methanesulfonamide.
What is the SMILES notation for lithium;hydride;1,1,1-trifluoro-N-(4-hydroxybutyl)methanesulfonamide?
The canonical SMILES for lithium;hydride;1,1,1-trifluoro-N-(4-hydroxybutyl)methanesulfonamide is O=S(=O)(NCCCCO)C(F)(F)F.[H-].[Li+].
What is the InChIKey of lithium;hydride;1,1,1-trifluoro-N-(4-hydroxybutyl)methanesulfonamide?
The InChIKey is AKZHDKOXWRDNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO3S.Li.H/c6-5(7,8)13(11,12)9-3-1-2-4-10;;/h9-10H,1-4H2;;/q;+1;-1.
What are the key properties of lithium;hydride;1,1,1-trifluoro-N-(4-hydroxybutyl)methanesulfonamide?
lithium;hydride;1,1,1-trifluoro-N-(4-hydroxybutyl)methanesulfonamide has a molecular weight of 229.15 g/mol, XLogP of -2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;1,1,1-trifluoro-N-(4-hydroxybutyl)methanesulfonamide is sourced from PubChem (CID 175057873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).