3-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-chlorophenoxy]azetidine

C18H14ClF6NO2 — CID 58405063

IUPAC3-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-chlorophenoxy]azetidine
SMILESFC(F)(F)c1ccc(COc2ccc(Cl)cc2OC2CNC2)c(C(F)(F)F)c1
InChIInChI=1S/C18H14ClF6NO2/c19-12-3-4-15(16(6-12)28-13-7-26-8-13)27-9-10-1-2-11(17(20,21)22)5-14(10)18(23,24)25/h1-6,13,26H,7-9H2
InChIKeyRTYNWFGVYITRBX-UHFFFAOYSA-N
MW425.76 g/mol
LogP5.31
Rot. Bonds5

About 3-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-chlorophenoxy]azetidine

3-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-chlorophenoxy]azetidine (PubChem CID 58405063) has the molecular formula C18H14ClF6NO2 and a molecular weight of 425.76 g/mol. Its IUPAC name is 3-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-chlorophenoxy]azetidine.

Molecular Properties

Compound Name3-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-chlorophenoxy]azetidine
PubChem CID58405063
Molecular FormulaC18H14ClF6NO2
Molecular Weight425.76 g/mol
Exact Mass425.06
IUPAC Name3-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-chlorophenoxy]azetidine
SMILESFC(F)(F)c1ccc(COc2ccc(Cl)cc2OC2CNC2)c(C(F)(F)F)c1
InChIInChI=1S/C18H14ClF6NO2/c19-12-3-4-15(16(6-12)28-13-7-26-8-13)27-9-10-1-2-11(17(20,21)22)5-14(10)18(23,24)25/h1-6,13,26H,7-9H2
InChIKeyRTYNWFGVYITRBX-UHFFFAOYSA-N
XLogP5.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.76
LogP ≤ 55.31
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
2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine
CID 58405172
3-[5-chloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
CID 58405153
1-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-(bromomethyl)-4-chlorobenzene
CID 89437755
3-(5-chloro-2-phenylmethoxyphenoxy)azetidine
CID 58405156
3-[5-chloro-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]azetidine
CID 46214493
5-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-2-(trifluoromethyl)furan-3-carboxylic acid
CID 46214331
3-[5-chloro-2-[2-(4-chlorophenyl)ethoxy]phenoxy]azetidine
CID 58405106
3-[5-chloro-2-[2-(2-chlorophenyl)ethoxy]phenoxy]azetidine
CID 90792059
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-fluoro-2-(trifluoromethyl)benzene
CID 89437014
3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]azetidine
CID 46214825
4-[(2,5-dichlorophenoxy)methyl]-3-(trifluoromethyl)aniline
CID 81117044

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-chlorophenoxy]azetidine?
The IUPAC name of 3-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-chlorophenoxy]azetidine (CID 58405063) is 3-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-chlorophenoxy]azetidine.
What is the SMILES notation for 3-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-chlorophenoxy]azetidine?
The canonical SMILES for 3-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-chlorophenoxy]azetidine is FC(F)(F)c1ccc(COc2ccc(Cl)cc2OC2CNC2)c(C(F)(F)F)c1.
What is the InChIKey of 3-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-chlorophenoxy]azetidine?
The InChIKey is RTYNWFGVYITRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF6NO2/c19-12-3-4-15(16(6-12)28-13-7-26-8-13)27-9-10-1-2-11(17(20,21)22)5-14(10)18(23,24)25/h1-6,13,26H,7-9H2.
What are the key properties of 3-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-chlorophenoxy]azetidine?
3-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-chlorophenoxy]azetidine has a molecular weight of 425.76 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-chlorophenoxy]azetidine is sourced from PubChem (CID 58405063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).