3-(2-methoxyphenoxy)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]azetidine

C14H18F3NO2 — CID 95708368

IUPAC3-(2-methoxyphenoxy)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]azetidine
SMILESCOc1ccccc1OC1CN(C[C@@H](C)C(F)(F)F)C1
InChIInChI=1S/C14H18F3NO2/c1-10(14(15,16)17)7-18-8-11(9-18)20-13-6-4-3-5-12(13)19-2/h3-6,10-11H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyHOHXLHOOQZNCGF-SNVBAGLBSA-N
MW289.30 g/mol
LogP2.96
Rot. Bonds5

About 3-(2-methoxyphenoxy)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]azetidine

3-(2-methoxyphenoxy)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]azetidine (PubChem CID 95708368) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]azetidine.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]azetidine
PubChem CID95708368
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name3-(2-methoxyphenoxy)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]azetidine
SMILESCOc1ccccc1OC1CN(C[C@@H](C)C(F)(F)F)C1
InChIInChI=1S/C14H18F3NO2/c1-10(14(15,16)17)7-18-8-11(9-18)20-13-6-4-3-5-12(13)19-2/h3-6,10-11H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyHOHXLHOOQZNCGF-SNVBAGLBSA-N
XLogP2.96
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]azetidine?
The IUPAC name of 3-(2-methoxyphenoxy)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]azetidine (CID 95708368) is 3-(2-methoxyphenoxy)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]azetidine.
What is the SMILES notation for 3-(2-methoxyphenoxy)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]azetidine?
The canonical SMILES for 3-(2-methoxyphenoxy)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]azetidine is COc1ccccc1OC1CN(C[C@@H](C)C(F)(F)F)C1.
What is the InChIKey of 3-(2-methoxyphenoxy)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]azetidine?
The InChIKey is HOHXLHOOQZNCGF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-10(14(15,16)17)7-18-8-11(9-18)20-13-6-4-3-5-12(13)19-2/h3-6,10-11H,7-9H2,1-2H3/t10-/m1/s1.
What are the key properties of 3-(2-methoxyphenoxy)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]azetidine?
3-(2-methoxyphenoxy)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]azetidine has a molecular weight of 289.30 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]azetidine is sourced from PubChem (CID 95708368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).