3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine

C11H12F3NO2 — CID 71133733

IUPAC3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine
SMILESFC(F)(F)Oc1ccc(OCC2CNC2)cc1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)17-10-3-1-9(2-4-10)16-7-8-5-15-6-8/h1-4,8,15H,5-7H2
InChIKeyYHGLNMFALXWWBA-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.18
Rot. Bonds4

About 3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine

3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine (PubChem CID 71133733) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine.

Molecular Properties

Compound Name3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine
PubChem CID71133733
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine
SMILESFC(F)(F)Oc1ccc(OCC2CNC2)cc1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)17-10-3-1-9(2-4-10)16-7-8-5-15-6-8/h1-4,8,15H,5-7H2
InChIKeyYHGLNMFALXWWBA-UHFFFAOYSA-N
XLogP2.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 58737388
4-[[4-(trifluoromethoxy)phenoxy]methyl]piperidine-1-carboxylic acid
CID 139832833
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
3-[[4-(trifluoromethylsulfonyl)phenoxy]methyl]pyrrolidine
CID 62371607
3-[(3,4-dichlorophenoxy)methyl]azetidine
CID 71133730
(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine
CID 86321325
N-(azetidin-3-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentanamine
CID 142725287
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]azetidin-3-amine
CID 68593383
3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830321
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
3-[[4-fluoro-3-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102747174
4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,3,6-tetrahydropyridine
CID 114404657

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine?
The IUPAC name of 3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine (CID 71133733) is 3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine.
What is the SMILES notation for 3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine?
The canonical SMILES for 3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine is FC(F)(F)Oc1ccc(OCC2CNC2)cc1.
What is the InChIKey of 3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine?
The InChIKey is YHGLNMFALXWWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c12-11(13,14)17-10-3-1-9(2-4-10)16-7-8-5-15-6-8/h1-4,8,15H,5-7H2.
What are the key properties of 3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine?
3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine has a molecular weight of 247.22 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine is sourced from PubChem (CID 71133733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).