3-[2-[4-(trifluoromethyl)phenyl]ethoxy]azetidine

C12H14F3NO — CID 115070494

IUPAC3-[2-[4-(trifluoromethyl)phenyl]ethoxy]azetidine
SMILESFC(F)(F)c1ccc(CCOC2CNC2)cc1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-9(2-4-10)5-6-17-11-7-16-8-11/h1-4,11,16H,5-8H2
InChIKeyQQCHIOUYFALOLP-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.24
Rot. Bonds4

About 3-[2-[4-(trifluoromethyl)phenyl]ethoxy]azetidine

3-[2-[4-(trifluoromethyl)phenyl]ethoxy]azetidine (PubChem CID 115070494) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-[2-[4-(trifluoromethyl)phenyl]ethoxy]azetidine.

Molecular Properties

Compound Name3-[2-[4-(trifluoromethyl)phenyl]ethoxy]azetidine
PubChem CID115070494
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name3-[2-[4-(trifluoromethyl)phenyl]ethoxy]azetidine
SMILESFC(F)(F)c1ccc(CCOC2CNC2)cc1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-9(2-4-10)5-6-17-11-7-16-8-11/h1-4,11,16H,5-8H2
InChIKeyQQCHIOUYFALOLP-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-fluorophenyl)ethoxy]azetidine
CID 115070498
3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride
CID 47002379
6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane
CID 69404406
3-[2-(4-nitrophenyl)ethoxy]azetidine
CID 63106099
3-[2-(4-fluorophenyl)ethoxy]pyrrolidine
CID 115070535
4-(2-pyrrolidin-3-yloxyethyl)pyridine
CID 62328437
1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362
3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
CID 131868892
2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 140514504
3-[(4-fluorophenyl)methoxy]azetidine;hydrochloride
CID 75485348
7-[[4-(trifluoromethyl)phenyl]methoxy]bicyclo[2.2.1]hept-2-ene
CID 101131304
4-[3-[4-(trifluoromethyl)phenoxy]propoxy]piperidine;hydrochloride
CID 164533496

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(trifluoromethyl)phenyl]ethoxy]azetidine?
The IUPAC name of 3-[2-[4-(trifluoromethyl)phenyl]ethoxy]azetidine (CID 115070494) is 3-[2-[4-(trifluoromethyl)phenyl]ethoxy]azetidine.
What is the SMILES notation for 3-[2-[4-(trifluoromethyl)phenyl]ethoxy]azetidine?
The canonical SMILES for 3-[2-[4-(trifluoromethyl)phenyl]ethoxy]azetidine is FC(F)(F)c1ccc(CCOC2CNC2)cc1.
What is the InChIKey of 3-[2-[4-(trifluoromethyl)phenyl]ethoxy]azetidine?
The InChIKey is QQCHIOUYFALOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-9(2-4-10)5-6-17-11-7-16-8-11/h1-4,11,16H,5-8H2.
What are the key properties of 3-[2-[4-(trifluoromethyl)phenyl]ethoxy]azetidine?
3-[2-[4-(trifluoromethyl)phenyl]ethoxy]azetidine has a molecular weight of 245.24 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(trifluoromethyl)phenyl]ethoxy]azetidine is sourced from PubChem (CID 115070494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).