[(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide

C9H19FINO — CID 14589730

IUPAC[(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide
SMILESC[C@@H]1O[C@@H](C[N+](C)(C)C)C[C@H]1F.[I-]
InChIInChI=1S/C9H19FNO.HI/c1-7-9(10)5-8(12-7)6-11(2,3)4;/h7-9H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8+,9+;/m0./s1
InChIKeyLOQSODOOUZMOJP-FZRXOQNUSA-M
MW303.16 g/mol
LogP-1.79
Rot. Bonds2

About [(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide

[(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide (PubChem CID 14589730) has the molecular formula C9H19FINO and a molecular weight of 303.16 g/mol. Its IUPAC name is [(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide.

Molecular Properties

Compound Name[(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide
PubChem CID14589730
Molecular FormulaC9H19FINO
Molecular Weight303.16 g/mol
Exact Mass303.05
IUPAC Name[(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide
SMILESC[C@@H]1O[C@@H](C[N+](C)(C)C)C[C@H]1F.[I-]
InChIInChI=1S/C9H19FNO.HI/c1-7-9(10)5-8(12-7)6-11(2,3)4;/h7-9H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8+,9+;/m0./s1
InChIKeyLOQSODOOUZMOJP-FZRXOQNUSA-M
XLogP-1.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 5-1.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide?
The IUPAC name of [(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide (CID 14589730) is [(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide.
What is the SMILES notation for [(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide?
The canonical SMILES for [(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide is C[C@@H]1O[C@@H](C[N+](C)(C)C)C[C@H]1F.[I-].
What is the InChIKey of [(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide?
The InChIKey is LOQSODOOUZMOJP-FZRXOQNUSA-M. The full InChI is InChI=1S/C9H19FNO.HI/c1-7-9(10)5-8(12-7)6-11(2,3)4;/h7-9H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8+,9+;/m0./s1.
What are the key properties of [(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide?
[(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide has a molecular weight of 303.16 g/mol, XLogP of -1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide is sourced from PubChem (CID 14589730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).