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

C14H20FNO — CID 106459870

IUPAC3-(3-fluorophenyl)-3-(2-propoxyethyl)azetidine
SMILESCCCOCCC1(c2cccc(F)c2)CNC1
InChIInChI=1S/C14H20FNO/c1-2-7-17-8-6-14(10-16-11-14)12-4-3-5-13(15)9-12/h3-5,9,16H,2,6-8,10-11H2,1H3
InChIKeyIYJXUSKNDLJYSB-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.48
Rot. Bonds6

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

3-(3-fluorophenyl)-3-(2-propoxyethyl)azetidine (PubChem CID 106459870) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-3-(2-propoxyethyl)azetidine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-3-(2-propoxyethyl)azetidine
PubChem CID106459870
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-(3-fluorophenyl)-3-(2-propoxyethyl)azetidine
SMILESCCCOCCC1(c2cccc(F)c2)CNC1
InChIInChI=1S/C14H20FNO/c1-2-7-17-8-6-14(10-16-11-14)12-4-3-5-13(15)9-12/h3-5,9,16H,2,6-8,10-11H2,1H3
InChIKeyIYJXUSKNDLJYSB-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'}

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Related Compounds

3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine
CID 79461082
3-(3-fluorophenyl)-3-(methoxymethyl)azetidine
CID 103985393
3-[2-(2-methoxyethoxy)ethyl]-3-phenylazetidine
CID 79452069
5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propyl-1,2,4-triazole
CID 79459810
4-[2-[3-(3-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
CID 103019200
3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine
CID 79460489
3-(4-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]azetidine
CID 103415662
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-methylphenyl)azetidine
CID 104568851
5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-2-methyltetrazole
CID 107058629
2-[(3S)-3-(3-fluorophenyl)piperidin-3-yl]ethanol
CID 46244139
3-[3-(2-methoxyethoxy)propyl]-3-phenylazetidine
CID 103415655
3-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)azetidine
CID 79460683

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-3-(2-propoxyethyl)azetidine?
The IUPAC name of 3-(3-fluorophenyl)-3-(2-propoxyethyl)azetidine (CID 106459870) is 3-(3-fluorophenyl)-3-(2-propoxyethyl)azetidine.
What is the SMILES notation for 3-(3-fluorophenyl)-3-(2-propoxyethyl)azetidine?
The canonical SMILES for 3-(3-fluorophenyl)-3-(2-propoxyethyl)azetidine is CCCOCCC1(c2cccc(F)c2)CNC1.
What is the InChIKey of 3-(3-fluorophenyl)-3-(2-propoxyethyl)azetidine?
The InChIKey is IYJXUSKNDLJYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-2-7-17-8-6-14(10-16-11-14)12-4-3-5-13(15)9-12/h3-5,9,16H,2,6-8,10-11H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-3-(2-propoxyethyl)azetidine?
3-(3-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-(3-fluorophenyl)-3-(2-propoxyethyl)azetidine is sourced from PubChem (CID 106459870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).