3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine

C18H18F3NO2 — CID 67346288

IUPAC3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine
SMILESCC(Oc1ccc(C(F)(F)F)cc1OC1CNC1)c1ccccc1
InChIInChI=1S/C18H18F3NO2/c1-12(13-5-3-2-4-6-13)23-16-8-7-14(18(19,20)21)9-17(16)24-15-10-22-11-15/h2-9,12,15,22H,10-11H2,1H3
InChIKeyISOFDQSCKQOHKY-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.20
Rot. Bonds5

About 3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine

3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine (PubChem CID 67346288) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine.

Molecular Properties

Compound Name3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine
PubChem CID67346288
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine
SMILESCC(Oc1ccc(C(F)(F)F)cc1OC1CNC1)c1ccccc1
InChIInChI=1S/C18H18F3NO2/c1-12(13-5-3-2-4-6-13)23-16-8-7-14(18(19,20)21)9-17(16)24-15-10-22-11-15/h2-9,12,15,22H,10-11H2,1H3
InChIKeyISOFDQSCKQOHKY-UHFFFAOYSA-N
XLogP4.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine?
The IUPAC name of 3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine (CID 67346288) is 3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine.
What is the SMILES notation for 3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine?
The canonical SMILES for 3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine is CC(Oc1ccc(C(F)(F)F)cc1OC1CNC1)c1ccccc1.
What is the InChIKey of 3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine?
The InChIKey is ISOFDQSCKQOHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-12(13-5-3-2-4-6-13)23-16-8-7-14(18(19,20)21)9-17(16)24-15-10-22-11-15/h2-9,12,15,22H,10-11H2,1H3.
What are the key properties of 3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine?
3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine has a molecular weight of 337.34 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine is sourced from PubChem (CID 67346288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).