3-(4-fluorophenyl)-3-(2-methoxyethyl)azetidine

C12H16FNO — CID 79459963

IUPAC3-(4-fluorophenyl)-3-(2-methoxyethyl)azetidine
SMILESCOCCC1(c2ccc(F)cc2)CNC1
InChIInChI=1S/C12H16FNO/c1-15-7-6-12(8-14-9-12)10-2-4-11(13)5-3-10/h2-5,14H,6-9H2,1H3
InChIKeySBBAKKVKQGNWAX-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.70
Rot. Bonds4

About 3-(4-fluorophenyl)-3-(2-methoxyethyl)azetidine

3-(4-fluorophenyl)-3-(2-methoxyethyl)azetidine (PubChem CID 79459963) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(2-methoxyethyl)azetidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(2-methoxyethyl)azetidine
PubChem CID79459963
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-(4-fluorophenyl)-3-(2-methoxyethyl)azetidine
SMILESCOCCC1(c2ccc(F)cc2)CNC1
InChIInChI=1S/C12H16FNO/c1-15-7-6-12(8-14-9-12)10-2-4-11(13)5-3-10/h2-5,14H,6-9H2,1H3
InChIKeySBBAKKVKQGNWAX-UHFFFAOYSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(2-methoxyethyl)azetidine?
The IUPAC name of 3-(4-fluorophenyl)-3-(2-methoxyethyl)azetidine (CID 79459963) is 3-(4-fluorophenyl)-3-(2-methoxyethyl)azetidine.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(2-methoxyethyl)azetidine?
The canonical SMILES for 3-(4-fluorophenyl)-3-(2-methoxyethyl)azetidine is COCCC1(c2ccc(F)cc2)CNC1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(2-methoxyethyl)azetidine?
The InChIKey is SBBAKKVKQGNWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-15-7-6-12(8-14-9-12)10-2-4-11(13)5-3-10/h2-5,14H,6-9H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-3-(2-methoxyethyl)azetidine?
3-(4-fluorophenyl)-3-(2-methoxyethyl)azetidine has a molecular weight of 209.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(2-methoxyethyl)azetidine is sourced from PubChem (CID 79459963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).