3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine

C15H22FNO — CID 79461082

IUPAC3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine
SMILESCCCCOCCC1(c2cccc(F)c2)CNC1
InChIInChI=1S/C15H22FNO/c1-2-3-8-18-9-7-15(11-17-12-15)13-5-4-6-14(16)10-13/h4-6,10,17H,2-3,7-9,11-12H2,1H3
InChIKeyYVTQDYJHRVDFEN-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.87
Rot. Bonds7

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

3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine (PubChem CID 79461082) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine.

Molecular Properties

Compound Name3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine
PubChem CID79461082
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine
SMILESCCCCOCCC1(c2cccc(F)c2)CNC1
InChIInChI=1S/C15H22FNO/c1-2-3-8-18-9-7-15(11-17-12-15)13-5-4-6-14(16)10-13/h4-6,10,17H,2-3,7-9,11-12H2,1H3
InChIKeyYVTQDYJHRVDFEN-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.87
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine?
The IUPAC name of 3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine (CID 79461082) is 3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine.
What is the SMILES notation for 3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine?
The canonical SMILES for 3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine is CCCCOCCC1(c2cccc(F)c2)CNC1.
What is the InChIKey of 3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine?
The InChIKey is YVTQDYJHRVDFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-2-3-8-18-9-7-15(11-17-12-15)13-5-4-6-14(16)10-13/h4-6,10,17H,2-3,7-9,11-12H2,1H3.
What are the key properties of 3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine?
3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine has a molecular weight of 251.34 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine is sourced from PubChem (CID 79461082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).