lithium;[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-[2-(oxomethyl)-1,3-thiazol-4-yl]methanone;hydroxide

C10H10F2LiN2O3S- — CID 140713910

IUPAClithium;[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-[2-(oxomethyl)-1,3-thiazol-4-yl]methanone;hydroxide
SMILESC[C@H]1CC(F)(F)CN1C(=O)c1csc([C-]=O)n1.[Li+].[OH-]
InChIInChI=1S/C10H9F2N2O2S.Li.H2O/c1-6-2-10(11,12)5-14(6)9(16)7-4-17-8(3-15)13-7;;/h4,6H,2,5H2,1H3;;1H2/q-1;+1;/p-1/t6-;;/m0../s1
InChIKeyCZOHCWQNQODZJJ-ILKKLZGPSA-M
MW283.20 g/mol
LogP-1.70
Rot. Bonds2

About lithium;[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-[2-(oxomethyl)-1,3-thiazol-4-yl]methanone;hydroxide

lithium;[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-[2-(oxomethyl)-1,3-thiazol-4-yl]methanone;hydroxide (PubChem CID 140713910) has the molecular formula C10H10F2LiN2O3S- and a molecular weight of 283.20 g/mol. Its IUPAC name is lithium;[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-[2-(oxomethyl)-1,3-thiazol-4-yl]methanone;hydroxide.

Molecular Properties

Compound Namelithium;[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-[2-(oxomethyl)-1,3-thiazol-4-yl]methanone;hydroxide
PubChem CID140713910
Molecular FormulaC10H10F2LiN2O3S-
Molecular Weight283.20 g/mol
Exact Mass283.05
IUPAC Namelithium;[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-[2-(oxomethyl)-1,3-thiazol-4-yl]methanone;hydroxide
SMILESC[C@H]1CC(F)(F)CN1C(=O)c1csc([C-]=O)n1.[Li+].[OH-]
InChIInChI=1S/C10H9F2N2O2S.Li.H2O/c1-6-2-10(11,12)5-14(6)9(16)7-4-17-8(3-15)13-7;;/h4,6H,2,5H2,1H3;;1H2/q-1;+1;/p-1/t6-;;/m0../s1
InChIKeyCZOHCWQNQODZJJ-ILKKLZGPSA-M
XLogP-1.70
TPSA80.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 5-1.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-[2-(oxomethyl)-1,3-thiazol-4-yl]methanone;hydroxide?
The IUPAC name of lithium;[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-[2-(oxomethyl)-1,3-thiazol-4-yl]methanone;hydroxide (CID 140713910) is lithium;[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-[2-(oxomethyl)-1,3-thiazol-4-yl]methanone;hydroxide.
What is the SMILES notation for lithium;[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-[2-(oxomethyl)-1,3-thiazol-4-yl]methanone;hydroxide?
The canonical SMILES for lithium;[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-[2-(oxomethyl)-1,3-thiazol-4-yl]methanone;hydroxide is C[C@H]1CC(F)(F)CN1C(=O)c1csc([C-]=O)n1.[Li+].[OH-].
What is the InChIKey of lithium;[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-[2-(oxomethyl)-1,3-thiazol-4-yl]methanone;hydroxide?
The InChIKey is CZOHCWQNQODZJJ-ILKKLZGPSA-M. The full InChI is InChI=1S/C10H9F2N2O2S.Li.H2O/c1-6-2-10(11,12)5-14(6)9(16)7-4-17-8(3-15)13-7;;/h4,6H,2,5H2,1H3;;1H2/q-1;+1;/p-1/t6-;;/m0../s1.
What are the key properties of lithium;[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-[2-(oxomethyl)-1,3-thiazol-4-yl]methanone;hydroxide?
lithium;[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-[2-(oxomethyl)-1,3-thiazol-4-yl]methanone;hydroxide has a molecular weight of 283.20 g/mol, XLogP of -1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-[2-(oxomethyl)-1,3-thiazol-4-yl]methanone;hydroxide is sourced from PubChem (CID 140713910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).