3-[6-(trifluoromethyl)-1-benzofuran-2-yl]azetidine

C12H10F3NO — CID 171092807

IUPAC3-[6-(trifluoromethyl)-1-benzofuran-2-yl]azetidine
SMILESFC(F)(F)c1ccc2cc(C3CNC3)oc2c1
InChIInChI=1S/C12H10F3NO/c13-12(14,15)9-2-1-7-3-10(8-5-16-6-8)17-11(7)4-9/h1-4,8,16H,5-6H2
InChIKeyIYRWNOTXEMRROG-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.14
Rot. Bonds1

About 3-[6-(trifluoromethyl)-1-benzofuran-2-yl]azetidine

3-[6-(trifluoromethyl)-1-benzofuran-2-yl]azetidine (PubChem CID 171092807) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 3-[6-(trifluoromethyl)-1-benzofuran-2-yl]azetidine.

Molecular Properties

Compound Name3-[6-(trifluoromethyl)-1-benzofuran-2-yl]azetidine
PubChem CID171092807
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name3-[6-(trifluoromethyl)-1-benzofuran-2-yl]azetidine
SMILESFC(F)(F)c1ccc2cc(C3CNC3)oc2c1
InChIInChI=1S/C12H10F3NO/c13-12(14,15)9-2-1-7-3-10(8-5-16-6-8)17-11(7)4-9/h1-4,8,16H,5-6H2
InChIKeyIYRWNOTXEMRROG-UHFFFAOYSA-N
XLogP3.14
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(trifluoromethyl)-1-benzofuran-2-yl]azetidine?
The IUPAC name of 3-[6-(trifluoromethyl)-1-benzofuran-2-yl]azetidine (CID 171092807) is 3-[6-(trifluoromethyl)-1-benzofuran-2-yl]azetidine.
What is the SMILES notation for 3-[6-(trifluoromethyl)-1-benzofuran-2-yl]azetidine?
The canonical SMILES for 3-[6-(trifluoromethyl)-1-benzofuran-2-yl]azetidine is FC(F)(F)c1ccc2cc(C3CNC3)oc2c1.
What is the InChIKey of 3-[6-(trifluoromethyl)-1-benzofuran-2-yl]azetidine?
The InChIKey is IYRWNOTXEMRROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c13-12(14,15)9-2-1-7-3-10(8-5-16-6-8)17-11(7)4-9/h1-4,8,16H,5-6H2.
What are the key properties of 3-[6-(trifluoromethyl)-1-benzofuran-2-yl]azetidine?
3-[6-(trifluoromethyl)-1-benzofuran-2-yl]azetidine has a molecular weight of 241.21 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(trifluoromethyl)-1-benzofuran-2-yl]azetidine is sourced from PubChem (CID 171092807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).