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

C16H14F3NO — CID 46204422

IUPAC3-[3-[2-(trifluoromethyl)phenyl]phenoxy]azetidine
SMILESFC(F)(F)c1ccccc1-c1cccc(OC2CNC2)c1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)15-7-2-1-6-14(15)11-4-3-5-12(8-11)21-13-9-20-10-13/h1-8,13,20H,9-10H2
InChIKeyCDWBIRXEOIVBEI-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.72
Rot. Bonds3

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

3-[3-[2-(trifluoromethyl)phenyl]phenoxy]azetidine (PubChem CID 46204422) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 3-[3-[2-(trifluoromethyl)phenyl]phenoxy]azetidine.

Molecular Properties

Compound Name3-[3-[2-(trifluoromethyl)phenyl]phenoxy]azetidine
PubChem CID46204422
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name3-[3-[2-(trifluoromethyl)phenyl]phenoxy]azetidine
SMILESFC(F)(F)c1ccccc1-c1cccc(OC2CNC2)c1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)15-7-2-1-6-14(15)11-4-3-5-12(8-11)21-13-9-20-10-13/h1-8,13,20H,9-10H2
InChIKeyCDWBIRXEOIVBEI-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(trifluoromethyl)phenyl]phenoxy]azetidine?
The IUPAC name of 3-[3-[2-(trifluoromethyl)phenyl]phenoxy]azetidine (CID 46204422) is 3-[3-[2-(trifluoromethyl)phenyl]phenoxy]azetidine.
What is the SMILES notation for 3-[3-[2-(trifluoromethyl)phenyl]phenoxy]azetidine?
The canonical SMILES for 3-[3-[2-(trifluoromethyl)phenyl]phenoxy]azetidine is FC(F)(F)c1ccccc1-c1cccc(OC2CNC2)c1.
What is the InChIKey of 3-[3-[2-(trifluoromethyl)phenyl]phenoxy]azetidine?
The InChIKey is CDWBIRXEOIVBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c17-16(18,19)15-7-2-1-6-14(15)11-4-3-5-12(8-11)21-13-9-20-10-13/h1-8,13,20H,9-10H2.
What are the key properties of 3-[3-[2-(trifluoromethyl)phenyl]phenoxy]azetidine?
3-[3-[2-(trifluoromethyl)phenyl]phenoxy]azetidine has a molecular weight of 293.29 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(trifluoromethyl)phenyl]phenoxy]azetidine is sourced from PubChem (CID 46204422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).