3-(4-fluoro-3-methylphenoxy)azetidine

C10H12FNO — CID 24902418

IUPAC3-(4-fluoro-3-methylphenoxy)azetidine
SMILESCc1cc(OC2CNC2)ccc1F
InChIInChI=1S/C10H12FNO/c1-7-4-8(2-3-10(7)11)13-9-5-12-6-9/h2-4,9,12H,5-6H2,1H3
InChIKeyPVCBIYNWXBZCRG-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.48
Rot. Bonds2

About 3-(4-fluoro-3-methylphenoxy)azetidine

3-(4-fluoro-3-methylphenoxy)azetidine (PubChem CID 24902418) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenoxy)azetidine.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenoxy)azetidine
PubChem CID24902418
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-(4-fluoro-3-methylphenoxy)azetidine
SMILESCc1cc(OC2CNC2)ccc1F
InChIInChI=1S/C10H12FNO/c1-7-4-8(2-3-10(7)11)13-9-5-12-6-9/h2-4,9,12H,5-6H2,1H3
InChIKeyPVCBIYNWXBZCRG-UHFFFAOYSA-N
XLogP1.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenoxy)azetidine?
The IUPAC name of 3-(4-fluoro-3-methylphenoxy)azetidine (CID 24902418) is 3-(4-fluoro-3-methylphenoxy)azetidine.
What is the SMILES notation for 3-(4-fluoro-3-methylphenoxy)azetidine?
The canonical SMILES for 3-(4-fluoro-3-methylphenoxy)azetidine is Cc1cc(OC2CNC2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenoxy)azetidine?
The InChIKey is PVCBIYNWXBZCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-7-4-8(2-3-10(7)11)13-9-5-12-6-9/h2-4,9,12H,5-6H2,1H3.
What are the key properties of 3-(4-fluoro-3-methylphenoxy)azetidine?
3-(4-fluoro-3-methylphenoxy)azetidine has a molecular weight of 181.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenoxy)azetidine is sourced from PubChem (CID 24902418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).