3-(2-fluorophenyl)-3-(2-propoxyethyl)azetidine

C14H20FNO — CID 106459873

IUPAC3-(2-fluorophenyl)-3-(2-propoxyethyl)azetidine
SMILESCCCOCCC1(c2ccccc2F)CNC1
InChIInChI=1S/C14H20FNO/c1-2-8-17-9-7-14(10-16-11-14)12-5-3-4-6-13(12)15/h3-6,16H,2,7-11H2,1H3
InChIKeyWRLFMNZSEKOIQM-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.48
Rot. Bonds6

About 3-(2-fluorophenyl)-3-(2-propoxyethyl)azetidine

3-(2-fluorophenyl)-3-(2-propoxyethyl)azetidine (PubChem CID 106459873) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-(2-propoxyethyl)azetidine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-(2-propoxyethyl)azetidine
PubChem CID106459873
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-(2-fluorophenyl)-3-(2-propoxyethyl)azetidine
SMILESCCCOCCC1(c2ccccc2F)CNC1
InChIInChI=1S/C14H20FNO/c1-2-8-17-9-7-14(10-16-11-14)12-5-3-4-6-13(12)15/h3-6,16H,2,7-11H2,1H3
InChIKeyWRLFMNZSEKOIQM-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-fluorophenyl)-3-(2-propoxyethyl)azetidine 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 3-(2-fluorophenyl)-3-(2-propoxyethyl)azetidine?
The IUPAC name of 3-(2-fluorophenyl)-3-(2-propoxyethyl)azetidine (CID 106459873) is 3-(2-fluorophenyl)-3-(2-propoxyethyl)azetidine.
What is the SMILES notation for 3-(2-fluorophenyl)-3-(2-propoxyethyl)azetidine?
The canonical SMILES for 3-(2-fluorophenyl)-3-(2-propoxyethyl)azetidine is CCCOCCC1(c2ccccc2F)CNC1.
What is the InChIKey of 3-(2-fluorophenyl)-3-(2-propoxyethyl)azetidine?
The InChIKey is WRLFMNZSEKOIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-2-8-17-9-7-14(10-16-11-14)12-5-3-4-6-13(12)15/h3-6,16H,2,7-11H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-3-(2-propoxyethyl)azetidine?
3-(2-fluorophenyl)-3-(2-propoxyethyl)azetidine has a molecular weight of 237.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-(2-propoxyethyl)azetidine is sourced from PubChem (CID 106459873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).