(4-fluoro-2-hydroxy-3-methylbutyl)-trimethylazanium

C8H19FNO+ — CID 87170086

IUPAC(4-fluoro-2-hydroxy-3-methylbutyl)-trimethylazanium
SMILESCC(CF)C(O)C[N+](C)(C)C
InChIInChI=1S/C8H19FNO/c1-7(5-9)8(11)6-10(2,3)4/h7-8,11H,5-6H2,1-4H3/q+1
InChIKeyGPYGZSPLPLIOLK-UHFFFAOYSA-N
MW164.24 g/mol
LogP0.66
Rot. Bonds4

About (4-fluoro-2-hydroxy-3-methylbutyl)-trimethylazanium

(4-fluoro-2-hydroxy-3-methylbutyl)-trimethylazanium (PubChem CID 87170086) has the molecular formula C8H19FNO+ and a molecular weight of 164.24 g/mol. Its IUPAC name is (4-fluoro-2-hydroxy-3-methylbutyl)-trimethylazanium.

Molecular Properties

Compound Name(4-fluoro-2-hydroxy-3-methylbutyl)-trimethylazanium
PubChem CID87170086
Molecular FormulaC8H19FNO+
Molecular Weight164.24 g/mol
Exact Mass164.14
IUPAC Name(4-fluoro-2-hydroxy-3-methylbutyl)-trimethylazanium
SMILESCC(CF)C(O)C[N+](C)(C)C
InChIInChI=1S/C8H19FNO/c1-7(5-9)8(11)6-10(2,3)4/h7-8,11H,5-6H2,1-4H3/q+1
InChIKeyGPYGZSPLPLIOLK-UHFFFAOYSA-N
XLogP0.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-fluoro-2-hydroxy-3-methylbutyl)-trimethylazanium 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 (4-fluoro-2-hydroxy-3-methylbutyl)-trimethylazanium?
The IUPAC name of (4-fluoro-2-hydroxy-3-methylbutyl)-trimethylazanium (CID 87170086) is (4-fluoro-2-hydroxy-3-methylbutyl)-trimethylazanium.
What is the SMILES notation for (4-fluoro-2-hydroxy-3-methylbutyl)-trimethylazanium?
The canonical SMILES for (4-fluoro-2-hydroxy-3-methylbutyl)-trimethylazanium is CC(CF)C(O)C[N+](C)(C)C.
What is the InChIKey of (4-fluoro-2-hydroxy-3-methylbutyl)-trimethylazanium?
The InChIKey is GPYGZSPLPLIOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19FNO/c1-7(5-9)8(11)6-10(2,3)4/h7-8,11H,5-6H2,1-4H3/q+1.
What are the key properties of (4-fluoro-2-hydroxy-3-methylbutyl)-trimethylazanium?
(4-fluoro-2-hydroxy-3-methylbutyl)-trimethylazanium has a molecular weight of 164.24 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-hydroxy-3-methylbutyl)-trimethylazanium is sourced from PubChem (CID 87170086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).