3-(4-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]azetidine

C15H22FNO2 — CID 103415662

IUPAC3-(4-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]azetidine
SMILESCOCCOCCCC1(c2ccc(F)cc2)CNC1
InChIInChI=1S/C15H22FNO2/c1-18-9-10-19-8-2-7-15(11-17-12-15)13-3-5-14(16)6-4-13/h3-6,17H,2,7-12H2,1H3
InChIKeyYMYFMSARCJJYEU-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.11
Rot. Bonds8

About 3-(4-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]azetidine

3-(4-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]azetidine (PubChem CID 103415662) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]azetidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]azetidine
PubChem CID103415662
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name3-(4-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]azetidine
SMILESCOCCOCCCC1(c2ccc(F)cc2)CNC1
InChIInChI=1S/C15H22FNO2/c1-18-9-10-19-8-2-7-15(11-17-12-15)13-3-5-14(16)6-4-13/h3-6,17H,2,7-12H2,1H3
InChIKeyYMYFMSARCJJYEU-UHFFFAOYSA-N
XLogP2.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-methoxyethoxy)propyl]-3-phenylazetidine
CID 103415655
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-methylphenyl)azetidine
CID 104568851
3-[2-(2-methoxyethoxy)ethyl]-3-phenylazetidine
CID 79452069
3-(4-bromophenyl)-3-(3-ethoxypropyl)azetidine
CID 79460824
3-(3-ethoxypropyl)-3-(4-methylphenyl)azetidine
CID 79451057
3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine
CID 79461082
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111405500
1-ethyl-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111407022
3-(3-fluorophenyl)-3-(2-propoxyethyl)azetidine
CID 106459870
3-(4-bromophenyl)-3-(4,4-dimethylpentyl)azetidine
CID 114210618
3-(3-fluorophenyl)-3-(methoxymethyl)azetidine
CID 103985393
5-[2-[3-(4-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
CID 103019187

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]azetidine?
The IUPAC name of 3-(4-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]azetidine (CID 103415662) is 3-(4-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]azetidine.
What is the SMILES notation for 3-(4-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]azetidine?
The canonical SMILES for 3-(4-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]azetidine is COCCOCCCC1(c2ccc(F)cc2)CNC1.
What is the InChIKey of 3-(4-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]azetidine?
The InChIKey is YMYFMSARCJJYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-18-9-10-19-8-2-7-15(11-17-12-15)13-3-5-14(16)6-4-13/h3-6,17H,2,7-12H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]azetidine?
3-(4-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]azetidine has a molecular weight of 267.34 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]azetidine is sourced from PubChem (CID 103415662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).