3-(4-fluorophenoxy)propylazanium

C9H13FNO+ — CID 42036216

IUPAC3-(4-fluorophenoxy)propylazanium
SMILES[NH3+]CCCOc1ccc(F)cc1
InChIInChI=1S/C9H12FNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,6-7,11H2/p+1
InChIKeyZIBPUVKKZJRDHB-UHFFFAOYSA-O
MW170.21 g/mol
LogP0.84
Rot. Bonds4

About 3-(4-fluorophenoxy)propylazanium

3-(4-fluorophenoxy)propylazanium (PubChem CID 42036216) has the molecular formula C9H13FNO+ and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)propylazanium.

Molecular Properties

Compound Name3-(4-fluorophenoxy)propylazanium
PubChem CID42036216
Molecular FormulaC9H13FNO+
Molecular Weight170.21 g/mol
Exact Mass170.10
IUPAC Name3-(4-fluorophenoxy)propylazanium
SMILES[NH3+]CCCOc1ccc(F)cc1
InChIInChI=1S/C9H12FNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,6-7,11H2/p+1
InChIKeyZIBPUVKKZJRDHB-UHFFFAOYSA-O
XLogP0.84
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenoxy)propylazanium with MolForge

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

Launch Full Analysis

Related Compounds

5-(4-fluorophenoxy)pentanal
CID 54288315
1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene
CID 141496951
3-[4-(4-fluorophenyl)phenoxy]propan-1-ol
CID 54464679
O-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride
CID 45158554
4-(4-fluorophenoxy)butanamide
CID 43244704
1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene
CID 580551
4-(4-fluorophenoxy)butanethioamide
CID 24702572
3-(4-fluorophenoxy)propyl carbamate
CID 154235028
2-[4-(4-fluorophenyl)phenoxy]ethyloxidanium
CID 163801809
N-chloro-2-(4-fluorophenoxy)ethanamine
CID 118373465
9-(4-fluorophenoxy)nonanoic acid
CID 66875133
N-ethyl-4-(4-fluorophenoxy)butan-1-amine
CID 62453789

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)propylazanium?
The IUPAC name of 3-(4-fluorophenoxy)propylazanium (CID 42036216) is 3-(4-fluorophenoxy)propylazanium.
What is the SMILES notation for 3-(4-fluorophenoxy)propylazanium?
The canonical SMILES for 3-(4-fluorophenoxy)propylazanium is [NH3+]CCCOc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)propylazanium?
The InChIKey is ZIBPUVKKZJRDHB-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12FNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,6-7,11H2/p+1.
What are the key properties of 3-(4-fluorophenoxy)propylazanium?
3-(4-fluorophenoxy)propylazanium has a molecular weight of 170.21 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)propylazanium is sourced from PubChem (CID 42036216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).