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

C9H19FNO+ — CID 6101943

IUPAC[(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
SMILESC[C@@H]1O[C@@H](C[N+](C)(C)C)C[C@H]1F
InChIInChI=1S/C9H19FNO/c1-7-9(10)5-8(12-7)6-11(2,3)4/h7-9H,5-6H2,1-4H3/q+1/t7-,8+,9+/m0/s1
InChIKeyRFMUQKVCQUKGBN-DJLDLDEBSA-N
MW176.25 g/mol
LogP1.21
Rot. Bonds2

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

[(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium (PubChem CID 6101943) has the molecular formula C9H19FNO+ and a molecular weight of 176.25 g/mol. Its IUPAC name is [(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium.

Molecular Properties

Compound Name[(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
PubChem CID6101943
Molecular FormulaC9H19FNO+
Molecular Weight176.25 g/mol
Exact Mass176.14
IUPAC Name[(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
SMILESC[C@@H]1O[C@@H](C[N+](C)(C)C)C[C@H]1F
InChIInChI=1S/C9H19FNO/c1-7-9(10)5-8(12-7)6-11(2,3)4/h7-9H,5-6H2,1-4H3/q+1/t7-,8+,9+/m0/s1
InChIKeyRFMUQKVCQUKGBN-DJLDLDEBSA-N
XLogP1.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.25
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 9308
[(2S,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide
CID 11066550
[(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium;chloride;hydrate
CID 142409793
[(2R,4R,5S)-4-benzoyloxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide
CID 10668987
trimethyl-[(5-methyloxolan-2-yl)methyl]azanium bromide
CID 23273617
trimethyl(oxiran-2-ylmethyl)azanium;hydrate
CID 174817905
trimethyl-[[(2R,5R)-2-methyl-3,3-dioxo-1,3-oxathiolan-5-yl]methyl]azanium
CID 15921335
trimethyl-[[(2R,5R)-5-methyl-1,4-dioxan-2-yl]methyl]azanium
CID 46227555
[(2S,3S,5S)-3-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 102138015
trimethyl-[[(2R,3S)-3-methyl-1,4-dioxan-2-yl]methyl]azanium
CID 118723725
propan-2-ol;trimethyl(oxiran-2-ylmethyl)azanium;chloride
CID 175186062
1,3-dioxolan-4-ylmethyl(trimethyl)azanium bromide
CID 23273521

Frequently Asked Questions

What is the IUPAC name of [(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium?
The IUPAC name of [(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium (CID 6101943) is [(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium.
What is the SMILES notation for [(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium?
The canonical SMILES for [(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium is C[C@@H]1O[C@@H](C[N+](C)(C)C)C[C@H]1F.
What is the InChIKey of [(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium?
The InChIKey is RFMUQKVCQUKGBN-DJLDLDEBSA-N. The full InChI is InChI=1S/C9H19FNO/c1-7-9(10)5-8(12-7)6-11(2,3)4/h7-9H,5-6H2,1-4H3/q+1/t7-,8+,9+/m0/s1.
What are the key properties of [(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium?
[(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium has a molecular weight of 176.25 g/mol, XLogP of 1.21, 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 is sourced from PubChem (CID 6101943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).