3-[(3-fluoro-5-methylphenoxy)methyl]azetidine

C11H14FNO — CID 154815250

IUPAC3-[(3-fluoro-5-methylphenoxy)methyl]azetidine
SMILESCc1cc(F)cc(OCC2CNC2)c1
InChIInChI=1S/C11H14FNO/c1-8-2-10(12)4-11(3-8)14-7-9-5-13-6-9/h2-4,9,13H,5-7H2,1H3
InChIKeyLHLWCXDKVXHEJJ-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.73
Rot. Bonds3

About 3-[(3-fluoro-5-methylphenoxy)methyl]azetidine

3-[(3-fluoro-5-methylphenoxy)methyl]azetidine (PubChem CID 154815250) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-[(3-fluoro-5-methylphenoxy)methyl]azetidine.

Molecular Properties

Compound Name3-[(3-fluoro-5-methylphenoxy)methyl]azetidine
PubChem CID154815250
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3-[(3-fluoro-5-methylphenoxy)methyl]azetidine
SMILESCc1cc(F)cc(OCC2CNC2)c1
InChIInChI=1S/C11H14FNO/c1-8-2-10(12)4-11(3-8)14-7-9-5-13-6-9/h2-4,9,13H,5-7H2,1H3
InChIKeyLHLWCXDKVXHEJJ-UHFFFAOYSA-N
XLogP1.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-5-methylphenoxy)methyl]azetidine?
The IUPAC name of 3-[(3-fluoro-5-methylphenoxy)methyl]azetidine (CID 154815250) is 3-[(3-fluoro-5-methylphenoxy)methyl]azetidine.
What is the SMILES notation for 3-[(3-fluoro-5-methylphenoxy)methyl]azetidine?
The canonical SMILES for 3-[(3-fluoro-5-methylphenoxy)methyl]azetidine is Cc1cc(F)cc(OCC2CNC2)c1.
What is the InChIKey of 3-[(3-fluoro-5-methylphenoxy)methyl]azetidine?
The InChIKey is LHLWCXDKVXHEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-8-2-10(12)4-11(3-8)14-7-9-5-13-6-9/h2-4,9,13H,5-7H2,1H3.
What are the key properties of 3-[(3-fluoro-5-methylphenoxy)methyl]azetidine?
3-[(3-fluoro-5-methylphenoxy)methyl]azetidine has a molecular weight of 195.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-5-methylphenoxy)methyl]azetidine is sourced from PubChem (CID 154815250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).