3-[5-chloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine

C17H14ClF4NO2 — CID 58405153

IUPAC3-[5-chloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
SMILESFc1ccc(COc2ccc(Cl)cc2OC2CNC2)cc1C(F)(F)F
InChIInChI=1S/C17H14ClF4NO2/c18-11-2-4-15(16(6-11)25-12-7-23-8-12)24-9-10-1-3-14(19)13(5-10)17(20,21)22/h1-6,12,23H,7-9H2
InChIKeyIBDDLEGVRPTKEI-UHFFFAOYSA-N
MW375.75 g/mol
LogP4.43
Rot. Bonds5

About 3-[5-chloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine

3-[5-chloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine (PubChem CID 58405153) has the molecular formula C17H14ClF4NO2 and a molecular weight of 375.75 g/mol. Its IUPAC name is 3-[5-chloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine.

Molecular Properties

Compound Name3-[5-chloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
PubChem CID58405153
Molecular FormulaC17H14ClF4NO2
Molecular Weight375.75 g/mol
Exact Mass375.06
IUPAC Name3-[5-chloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
SMILESFc1ccc(COc2ccc(Cl)cc2OC2CNC2)cc1C(F)(F)F
InChIInChI=1S/C17H14ClF4NO2/c18-11-2-4-15(16(6-11)25-12-7-23-8-12)24-9-10-1-3-14(19)13(5-10)17(20,21)22/h1-6,12,23H,7-9H2
InChIKeyIBDDLEGVRPTKEI-UHFFFAOYSA-N
XLogP4.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.75
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
CID 58405050
3-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-chlorophenoxy]azetidine
CID 58405063
3-(5-chloro-2-phenylmethoxyphenoxy)azetidine
CID 58405156
3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]azetidine
CID 46214825
2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine
CID 58405172
3-[5-chloro-2-[2-(4-chlorophenyl)ethoxy]phenoxy]azetidine
CID 58405106
3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenoxy]azetidine
CID 46215489
3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine
CID 58405228
5-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-2-(trifluoromethyl)furan-3-carboxylic acid
CID 46214331
3-[4-fluoro-3-(trifluoromethyl)phenoxy]azetidine
CID 102747182
1-tert-butyl-3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
CID 46214973
3-[5-chloro-2-[2-(2-chlorophenyl)ethoxy]phenoxy]azetidine
CID 90792059

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine?
The IUPAC name of 3-[5-chloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine (CID 58405153) is 3-[5-chloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine.
What is the SMILES notation for 3-[5-chloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine?
The canonical SMILES for 3-[5-chloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine is Fc1ccc(COc2ccc(Cl)cc2OC2CNC2)cc1C(F)(F)F.
What is the InChIKey of 3-[5-chloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine?
The InChIKey is IBDDLEGVRPTKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF4NO2/c18-11-2-4-15(16(6-11)25-12-7-23-8-12)24-9-10-1-3-14(19)13(5-10)17(20,21)22/h1-6,12,23H,7-9H2.
What are the key properties of 3-[5-chloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine?
3-[5-chloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine has a molecular weight of 375.75 g/mol, XLogP of 4.43, 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-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine is sourced from PubChem (CID 58405153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).