3-[5-chloro-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]azetidine

C19H17ClF3NO2 — CID 46214493

IUPAC3-[5-chloro-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]azetidine
SMILESFC(F)(F)c1ccc2c(c1)C(Oc1ccc(Cl)cc1OC1CNC1)CC2
InChIInChI=1S/C19H17ClF3NO2/c20-13-4-6-17(18(8-13)25-14-9-24-10-14)26-16-5-2-11-1-3-12(7-15(11)16)19(21,22)23/h1,3-4,6-8,14,16,24H,2,5,9-10H2
InChIKeyZMSMAKBZKJKXFX-UHFFFAOYSA-N
MW383.80 g/mol
LogP4.78
Rot. Bonds4

About 3-[5-chloro-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]azetidine

3-[5-chloro-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]azetidine (PubChem CID 46214493) has the molecular formula C19H17ClF3NO2 and a molecular weight of 383.80 g/mol. Its IUPAC name is 3-[5-chloro-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]azetidine.

Molecular Properties

Compound Name3-[5-chloro-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]azetidine
PubChem CID46214493
Molecular FormulaC19H17ClF3NO2
Molecular Weight383.80 g/mol
Exact Mass383.09
IUPAC Name3-[5-chloro-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]azetidine
SMILESFC(F)(F)c1ccc2c(c1)C(Oc1ccc(Cl)cc1OC1CNC1)CC2
InChIInChI=1S/C19H17ClF3NO2/c20-13-4-6-17(18(8-13)25-14-9-24-10-14)26-16-5-2-11-1-3-12(7-15(11)16)19(21,22)23/h1,3-4,6-8,14,16,24H,2,5,9-10H2
InChIKeyZMSMAKBZKJKXFX-UHFFFAOYSA-N
XLogP4.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.80
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-chlorophenoxy]azetidine
CID 58405063
3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
CID 58405050
3-(4-chloro-2-methoxyphenoxy)azetidine
CID 131025612
2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine
CID 58405172
3-[5-chloro-2-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]phenoxy]azetidine;2,2,2-trifluoroacetic acid
CID 87365346
3-[5-chloro-2-(4-chlorophenoxy)phenoxy]azetidine
CID 46215141
3-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine
CID 83806996
3-[5-bromo-2-[(5-ethyl-2,3-dihydro-1H-inden-1-yl)oxy]phenoxy]azetidine
CID 68620850
3-[5-chloro-2-(2-methylphenoxy)phenoxy]azetidine;2,2,2-trifluoroacetic acid
CID 67347020
3-[5-chloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
CID 58405153
3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine
CID 67346288
3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine
CID 83807041

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]azetidine?
The IUPAC name of 3-[5-chloro-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]azetidine (CID 46214493) is 3-[5-chloro-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]azetidine.
What is the SMILES notation for 3-[5-chloro-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]azetidine?
The canonical SMILES for 3-[5-chloro-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]azetidine is FC(F)(F)c1ccc2c(c1)C(Oc1ccc(Cl)cc1OC1CNC1)CC2.
What is the InChIKey of 3-[5-chloro-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]azetidine?
The InChIKey is ZMSMAKBZKJKXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3NO2/c20-13-4-6-17(18(8-13)25-14-9-24-10-14)26-16-5-2-11-1-3-12(7-15(11)16)19(21,22)23/h1,3-4,6-8,14,16,24H,2,5,9-10H2.
What are the key properties of 3-[5-chloro-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]azetidine?
3-[5-chloro-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]azetidine has a molecular weight of 383.80 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]azetidine is sourced from PubChem (CID 46214493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).