3-[2-[2-(trifluoromethyl)phenoxy]ethyl]azetidine

C12H14F3NO — CID 107391519

IUPAC3-[2-[2-(trifluoromethyl)phenoxy]ethyl]azetidine
SMILESFC(F)(F)c1ccccc1OCCC1CNC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-2-4-11(10)17-6-5-9-7-16-8-9/h1-4,9,16H,5-8H2
InChIKeyWYKIPODDYFQNNP-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.69
Rot. Bonds4

About 3-[2-[2-(trifluoromethyl)phenoxy]ethyl]azetidine

3-[2-[2-(trifluoromethyl)phenoxy]ethyl]azetidine (PubChem CID 107391519) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-[2-[2-(trifluoromethyl)phenoxy]ethyl]azetidine.

Molecular Properties

Compound Name3-[2-[2-(trifluoromethyl)phenoxy]ethyl]azetidine
PubChem CID107391519
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name3-[2-[2-(trifluoromethyl)phenoxy]ethyl]azetidine
SMILESFC(F)(F)c1ccccc1OCCC1CNC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-2-4-11(10)17-6-5-9-7-16-8-9/h1-4,9,16H,5-8H2
InChIKeyWYKIPODDYFQNNP-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 86321036
2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 23339323
3-[(2-tert-butylphenoxy)methyl]azetidine
CID 59577199
3-[2-(2,6-dimethoxyphenoxy)ethyl]azetidine
CID 107391518
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
2-methyl-6-[[2-(trifluoromethyl)phenoxy]methyl]morpholine
CID 102635361
3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride
CID 146064557
3-[2-(2-tert-butyl-5-methylphenoxy)ethyl]azetidine
CID 107391583
3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine
CID 105484527
3-[2-(4-benzylphenoxy)ethyl]azetidine
CID 107391708
4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine
CID 68829498
1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol
CID 110910733

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(trifluoromethyl)phenoxy]ethyl]azetidine?
The IUPAC name of 3-[2-[2-(trifluoromethyl)phenoxy]ethyl]azetidine (CID 107391519) is 3-[2-[2-(trifluoromethyl)phenoxy]ethyl]azetidine.
What is the SMILES notation for 3-[2-[2-(trifluoromethyl)phenoxy]ethyl]azetidine?
The canonical SMILES for 3-[2-[2-(trifluoromethyl)phenoxy]ethyl]azetidine is FC(F)(F)c1ccccc1OCCC1CNC1.
What is the InChIKey of 3-[2-[2-(trifluoromethyl)phenoxy]ethyl]azetidine?
The InChIKey is WYKIPODDYFQNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-2-4-11(10)17-6-5-9-7-16-8-9/h1-4,9,16H,5-8H2.
What are the key properties of 3-[2-[2-(trifluoromethyl)phenoxy]ethyl]azetidine?
3-[2-[2-(trifluoromethyl)phenoxy]ethyl]azetidine has a molecular weight of 245.24 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(trifluoromethyl)phenoxy]ethyl]azetidine is sourced from PubChem (CID 107391519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).