2-(3-fluoropropoxy)ethyl-trimethylazanium

C8H19FNO+ — CID 87770911

IUPAC2-(3-fluoropropoxy)ethyl-trimethylazanium
SMILESC[N+](C)(C)CCOCCCF
InChIInChI=1S/C8H19FNO/c1-10(2,3)6-8-11-7-4-5-9/h4-8H2,1-3H3/q+1
InChIKeyDNTGLWDGQKRWJT-UHFFFAOYSA-N
MW164.24 g/mol
LogP1.07
Rot. Bonds6

About 2-(3-fluoropropoxy)ethyl-trimethylazanium

2-(3-fluoropropoxy)ethyl-trimethylazanium (PubChem CID 87770911) has the molecular formula C8H19FNO+ and a molecular weight of 164.24 g/mol. Its IUPAC name is 2-(3-fluoropropoxy)ethyl-trimethylazanium.

Molecular Properties

Compound Name2-(3-fluoropropoxy)ethyl-trimethylazanium
PubChem CID87770911
Molecular FormulaC8H19FNO+
Molecular Weight164.24 g/mol
Exact Mass164.14
IUPAC Name2-(3-fluoropropoxy)ethyl-trimethylazanium
SMILESC[N+](C)(C)CCOCCCF
InChIInChI=1S/C8H19FNO/c1-10(2,3)6-8-11-7-4-5-9/h4-8H2,1-3H3/q+1
InChIKeyDNTGLWDGQKRWJT-UHFFFAOYSA-N
XLogP1.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropoxy)ethyl-trimethylazanium?
The IUPAC name of 2-(3-fluoropropoxy)ethyl-trimethylazanium (CID 87770911) is 2-(3-fluoropropoxy)ethyl-trimethylazanium.
What is the SMILES notation for 2-(3-fluoropropoxy)ethyl-trimethylazanium?
The canonical SMILES for 2-(3-fluoropropoxy)ethyl-trimethylazanium is C[N+](C)(C)CCOCCCF.
What is the InChIKey of 2-(3-fluoropropoxy)ethyl-trimethylazanium?
The InChIKey is DNTGLWDGQKRWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19FNO/c1-10(2,3)6-8-11-7-4-5-9/h4-8H2,1-3H3/q+1.
What are the key properties of 2-(3-fluoropropoxy)ethyl-trimethylazanium?
2-(3-fluoropropoxy)ethyl-trimethylazanium has a molecular weight of 164.24 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropoxy)ethyl-trimethylazanium is sourced from PubChem (CID 87770911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).