(3-fluoro-2-hydroxypentyl)-trimethylazanium

C8H19FNO+ — CID 22987536

IUPAC(3-fluoro-2-hydroxypentyl)-trimethylazanium
SMILESCCC(F)C(O)C[N+](C)(C)C
InChIInChI=1S/C8H19FNO/c1-5-7(9)8(11)6-10(2,3)4/h7-8,11H,5-6H2,1-4H3/q+1
InChIKeyYPTUVRWFOAUIFU-UHFFFAOYSA-N
MW164.24 g/mol
LogP0.80
Rot. Bonds4

About (3-fluoro-2-hydroxypentyl)-trimethylazanium

(3-fluoro-2-hydroxypentyl)-trimethylazanium (PubChem CID 22987536) has the molecular formula C8H19FNO+ and a molecular weight of 164.24 g/mol. Its IUPAC name is (3-fluoro-2-hydroxypentyl)-trimethylazanium.

Molecular Properties

Compound Name(3-fluoro-2-hydroxypentyl)-trimethylazanium
PubChem CID22987536
Molecular FormulaC8H19FNO+
Molecular Weight164.24 g/mol
Exact Mass164.14
IUPAC Name(3-fluoro-2-hydroxypentyl)-trimethylazanium
SMILESCCC(F)C(O)C[N+](C)(C)C
InChIInChI=1S/C8H19FNO/c1-5-7(9)8(11)6-10(2,3)4/h7-8,11H,5-6H2,1-4H3/q+1
InChIKeyYPTUVRWFOAUIFU-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-hydroxypentyl)-trimethylazanium?
The IUPAC name of (3-fluoro-2-hydroxypentyl)-trimethylazanium (CID 22987536) is (3-fluoro-2-hydroxypentyl)-trimethylazanium.
What is the SMILES notation for (3-fluoro-2-hydroxypentyl)-trimethylazanium?
The canonical SMILES for (3-fluoro-2-hydroxypentyl)-trimethylazanium is CCC(F)C(O)C[N+](C)(C)C.
What is the InChIKey of (3-fluoro-2-hydroxypentyl)-trimethylazanium?
The InChIKey is YPTUVRWFOAUIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19FNO/c1-5-7(9)8(11)6-10(2,3)4/h7-8,11H,5-6H2,1-4H3/q+1.
What are the key properties of (3-fluoro-2-hydroxypentyl)-trimethylazanium?
(3-fluoro-2-hydroxypentyl)-trimethylazanium has a molecular weight of 164.24 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-hydroxypentyl)-trimethylazanium is sourced from PubChem (CID 22987536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).