3-(2,3,5-trifluorophenoxy)azetidine

C9H8F3NO — CID 134521245

IUPAC3-(2,3,5-trifluorophenoxy)azetidine
SMILESFc1cc(F)c(F)c(OC2CNC2)c1
InChIInChI=1S/C9H8F3NO/c10-5-1-7(11)9(12)8(2-5)14-6-3-13-4-6/h1-2,6,13H,3-4H2
InChIKeyGTBDBFIFWULFCC-UHFFFAOYSA-N
MW203.16 g/mol
LogP1.45
Rot. Bonds2

About 3-(2,3,5-trifluorophenoxy)azetidine

3-(2,3,5-trifluorophenoxy)azetidine (PubChem CID 134521245) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 3-(2,3,5-trifluorophenoxy)azetidine.

Molecular Properties

Compound Name3-(2,3,5-trifluorophenoxy)azetidine
PubChem CID134521245
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name3-(2,3,5-trifluorophenoxy)azetidine
SMILESFc1cc(F)c(F)c(OC2CNC2)c1
InChIInChI=1S/C9H8F3NO/c10-5-1-7(11)9(12)8(2-5)14-6-3-13-4-6/h1-2,6,13H,3-4H2
InChIKeyGTBDBFIFWULFCC-UHFFFAOYSA-N
XLogP1.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,5-trifluorophenoxy)azetidine?
The IUPAC name of 3-(2,3,5-trifluorophenoxy)azetidine (CID 134521245) is 3-(2,3,5-trifluorophenoxy)azetidine.
What is the SMILES notation for 3-(2,3,5-trifluorophenoxy)azetidine?
The canonical SMILES for 3-(2,3,5-trifluorophenoxy)azetidine is Fc1cc(F)c(F)c(OC2CNC2)c1.
What is the InChIKey of 3-(2,3,5-trifluorophenoxy)azetidine?
The InChIKey is GTBDBFIFWULFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c10-5-1-7(11)9(12)8(2-5)14-6-3-13-4-6/h1-2,6,13H,3-4H2.
What are the key properties of 3-(2,3,5-trifluorophenoxy)azetidine?
3-(2,3,5-trifluorophenoxy)azetidine has a molecular weight of 203.16 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,5-trifluorophenoxy)azetidine is sourced from PubChem (CID 134521245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).