1-methyl-2,2-diphenyl-3-[3-(trifluoromethyl)phenoxy]azetidine

C23H20F3NO — CID 70450736

IUPAC1-methyl-2,2-diphenyl-3-[3-(trifluoromethyl)phenoxy]azetidine
SMILESCN1CC(Oc2cccc(C(F)(F)F)c2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20F3NO/c1-27-16-21(28-20-14-8-13-19(15-20)23(24,25)26)22(27,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,21H,16H2,1H3
InChIKeyVOYJZRKKWVRWIL-UHFFFAOYSA-N
MW383.41 g/mol
LogP5.34
Rot. Bonds4

About 1-methyl-2,2-diphenyl-3-[3-(trifluoromethyl)phenoxy]azetidine

1-methyl-2,2-diphenyl-3-[3-(trifluoromethyl)phenoxy]azetidine (PubChem CID 70450736) has the molecular formula C23H20F3NO and a molecular weight of 383.41 g/mol. Its IUPAC name is 1-methyl-2,2-diphenyl-3-[3-(trifluoromethyl)phenoxy]azetidine.

Molecular Properties

Compound Name1-methyl-2,2-diphenyl-3-[3-(trifluoromethyl)phenoxy]azetidine
PubChem CID70450736
Molecular FormulaC23H20F3NO
Molecular Weight383.41 g/mol
Exact Mass383.15
IUPAC Name1-methyl-2,2-diphenyl-3-[3-(trifluoromethyl)phenoxy]azetidine
SMILESCN1CC(Oc2cccc(C(F)(F)F)c2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20F3NO/c1-27-16-21(28-20-14-8-13-19(15-20)23(24,25)26)22(27,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,21H,16H2,1H3
InChIKeyVOYJZRKKWVRWIL-UHFFFAOYSA-N
XLogP5.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.41
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-2,2-diphenyl-3-[3-(trifluoromethyl)phenoxy]azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,2-diphenyl-3-[3-(trifluoromethyl)phenoxy]azetidine?
The IUPAC name of 1-methyl-2,2-diphenyl-3-[3-(trifluoromethyl)phenoxy]azetidine (CID 70450736) is 1-methyl-2,2-diphenyl-3-[3-(trifluoromethyl)phenoxy]azetidine.
What is the SMILES notation for 1-methyl-2,2-diphenyl-3-[3-(trifluoromethyl)phenoxy]azetidine?
The canonical SMILES for 1-methyl-2,2-diphenyl-3-[3-(trifluoromethyl)phenoxy]azetidine is CN1CC(Oc2cccc(C(F)(F)F)c2)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-methyl-2,2-diphenyl-3-[3-(trifluoromethyl)phenoxy]azetidine?
The InChIKey is VOYJZRKKWVRWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO/c1-27-16-21(28-20-14-8-13-19(15-20)23(24,25)26)22(27,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,21H,16H2,1H3.
What are the key properties of 1-methyl-2,2-diphenyl-3-[3-(trifluoromethyl)phenoxy]azetidine?
1-methyl-2,2-diphenyl-3-[3-(trifluoromethyl)phenoxy]azetidine has a molecular weight of 383.41 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,2-diphenyl-3-[3-(trifluoromethyl)phenoxy]azetidine is sourced from PubChem (CID 70450736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).