3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine

C17H15ClF3NO2 — CID 58405050

IUPAC3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
SMILESFC(F)(F)c1cccc(COc2ccc(Cl)cc2OC2CNC2)c1
InChIInChI=1S/C17H15ClF3NO2/c18-13-4-5-15(16(7-13)24-14-8-22-9-14)23-10-11-2-1-3-12(6-11)17(19,20)21/h1-7,14,22H,8-10H2
InChIKeyNDRANYJKNHFPII-UHFFFAOYSA-N
MW357.76 g/mol
LogP4.29
Rot. Bonds5

About 3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine

3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine (PubChem CID 58405050) has the molecular formula C17H15ClF3NO2 and a molecular weight of 357.76 g/mol. Its IUPAC name is 3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine.

Molecular Properties

Compound Name3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
PubChem CID58405050
Molecular FormulaC17H15ClF3NO2
Molecular Weight357.76 g/mol
Exact Mass357.07
IUPAC Name3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
SMILESFC(F)(F)c1cccc(COc2ccc(Cl)cc2OC2CNC2)c1
InChIInChI=1S/C17H15ClF3NO2/c18-13-4-5-15(16(7-13)24-14-8-22-9-14)23-10-11-2-1-3-12(6-11)17(19,20)21/h1-7,14,22H,8-10H2
InChIKeyNDRANYJKNHFPII-UHFFFAOYSA-N
XLogP4.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-phenylmethoxyphenoxy)azetidine
CID 58405156
3-[5-chloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
CID 58405153
1-tert-butyl-3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
CID 46214973
2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine
CID 58405172
3-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-chlorophenoxy]azetidine
CID 58405063
3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]azetidine
CID 46214825
3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine
CID 58405228
1-benzyl-3-[5-chloro-2-[2-[3-(trifluoromethyl)phenyl]ethoxy]phenoxy]azetidine
CID 91014421
3-[5-chloro-2-[2-(4-chlorophenyl)ethoxy]phenoxy]azetidine
CID 58405106
3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine
CID 170867877
3-[5-chloro-2-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]phenoxy]azetidine;2,2,2-trifluoroacetic acid
CID 87365346
5-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-2-(trifluoromethyl)furan-3-carboxylic acid
CID 46214331

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine?
The IUPAC name of 3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine (CID 58405050) is 3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine.
What is the SMILES notation for 3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine?
The canonical SMILES for 3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine is FC(F)(F)c1cccc(COc2ccc(Cl)cc2OC2CNC2)c1.
What is the InChIKey of 3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine?
The InChIKey is NDRANYJKNHFPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO2/c18-13-4-5-15(16(7-13)24-14-8-22-9-14)23-10-11-2-1-3-12(6-11)17(19,20)21/h1-7,14,22H,8-10H2.
What are the key properties of 3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine?
3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine has a molecular weight of 357.76 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine is sourced from PubChem (CID 58405050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).