2-fluoro-1,3-dimethylimidazolidine;methanesulfonic acid

C6H15FN2O3S — CID 173131433

IUPAC2-fluoro-1,3-dimethylimidazolidine;methanesulfonic acid
SMILESCN1CCN(C)C1F.CS(=O)(=O)O
InChIInChI=1S/C5H11FN2.CH4O3S/c1-7-3-4-8(2)5(7)6;1-5(2,3)4/h5H,3-4H2,1-2H3;1H3,(H,2,3,4)
InChIKeyLWKLESPYFHQOLS-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.38
Rot. Bonds

About 2-fluoro-1,3-dimethylimidazolidine;methanesulfonic acid

2-fluoro-1,3-dimethylimidazolidine;methanesulfonic acid (PubChem CID 173131433) has the molecular formula C6H15FN2O3S and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-fluoro-1,3-dimethylimidazolidine;methanesulfonic acid.

Molecular Properties

Compound Name2-fluoro-1,3-dimethylimidazolidine;methanesulfonic acid
PubChem CID173131433
Molecular FormulaC6H15FN2O3S
Molecular Weight214.26 g/mol
Exact Mass214.08
IUPAC Name2-fluoro-1,3-dimethylimidazolidine;methanesulfonic acid
SMILESCN1CCN(C)C1F.CS(=O)(=O)O
InChIInChI=1S/C5H11FN2.CH4O3S/c1-7-3-4-8(2)5(7)6;1-5(2,3)4/h5H,3-4H2,1-2H3;1H3,(H,2,3,4)
InChIKeyLWKLESPYFHQOLS-UHFFFAOYSA-N
XLogP-0.38
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3-dimethylimidazolidine;methanesulfonic acid?
The IUPAC name of 2-fluoro-1,3-dimethylimidazolidine;methanesulfonic acid (CID 173131433) is 2-fluoro-1,3-dimethylimidazolidine;methanesulfonic acid.
What is the SMILES notation for 2-fluoro-1,3-dimethylimidazolidine;methanesulfonic acid?
The canonical SMILES for 2-fluoro-1,3-dimethylimidazolidine;methanesulfonic acid is CN1CCN(C)C1F.CS(=O)(=O)O.
What is the InChIKey of 2-fluoro-1,3-dimethylimidazolidine;methanesulfonic acid?
The InChIKey is LWKLESPYFHQOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2.CH4O3S/c1-7-3-4-8(2)5(7)6;1-5(2,3)4/h5H,3-4H2,1-2H3;1H3,(H,2,3,4).
What are the key properties of 2-fluoro-1,3-dimethylimidazolidine;methanesulfonic acid?
2-fluoro-1,3-dimethylimidazolidine;methanesulfonic acid has a molecular weight of 214.26 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-dimethylimidazolidine;methanesulfonic acid is sourced from PubChem (CID 173131433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).