3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine

C17H15ClF3NO — CID 68902464

IUPAC3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine
SMILESFC(F)(F)c1ccccc1C(OC1CNC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF3NO/c18-12-7-5-11(6-8-12)16(23-13-9-22-10-13)14-3-1-2-4-15(14)17(19,20)21/h1-8,13,16,22H,9-10H2
InChIKeyPPXZVDOBKACUII-UHFFFAOYSA-N
MW341.76 g/mol
LogP4.44
Rot. Bonds4

About 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine

3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine (PubChem CID 68902464) has the molecular formula C17H15ClF3NO and a molecular weight of 341.76 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine
PubChem CID68902464
Molecular FormulaC17H15ClF3NO
Molecular Weight341.76 g/mol
Exact Mass341.08
IUPAC Name3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine
SMILESFC(F)(F)c1ccccc1C(OC1CNC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF3NO/c18-12-7-5-11(6-8-12)16(23-13-9-22-10-13)14-3-1-2-4-15(14)17(19,20)21/h1-8,13,16,22H,9-10H2
InChIKeyPPXZVDOBKACUII-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.76
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzhydryl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine
CID 68906138
3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine;hydrochloride
CID 68902343
3-[(4-chlorophenyl)-phenylmethoxy]azetidine
CID 131865154
3-[bis(2-chlorophenyl)methoxy]azetidine
CID 68907853
N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 171493849
3-benzhydryloxyazetidine;hydrochloride
CID 131885172
1-benzhydryl-3-[(4-methylsulfonylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine
CID 68902535
N-tert-butyl-N-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]pyrrolidine-1-carboxamide
CID 87630410
2-chloro-3-[(4-chlorophenyl)-[(3R)-piperidin-3-yl]oxymethyl]pyridine
CID 102045851
N-tert-butyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 11292673
N-(1-adamantyl)-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 11167996
N-tert-butyl-3-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 11201815

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine?
The IUPAC name of 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine (CID 68902464) is 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine.
What is the SMILES notation for 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine?
The canonical SMILES for 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine is FC(F)(F)c1ccccc1C(OC1CNC1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine?
The InChIKey is PPXZVDOBKACUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO/c18-12-7-5-11(6-8-12)16(23-13-9-22-10-13)14-3-1-2-4-15(14)17(19,20)21/h1-8,13,16,22H,9-10H2.
What are the key properties of 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine?
3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine has a molecular weight of 341.76 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine is sourced from PubChem (CID 68902464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).