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2-(2,3-dihydro-1-benzofuran-7-yl)-6-(trifluoromethyl)piperidine

C14H16F3NO — CID 106781651

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(2,3-dihydro-1-benzofuran-7-yl)-6-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCCC(c2cccc3c2OCC3)N1
InChIInChI=1S/C14H16F3NO/c15-14(16,17)12-6-2-5-11(18-12)10-4-1-3-9-7-8-19-13(9)10/h1,3-4,11-12,18H,2,5-8H2
InChIKeyKCHQURSBZTWLSK-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.37
Rot. Bonds1

About 2-(2,3-dihydro-1-benzofuran-7-yl)-6-(trifluoromethyl)piperidine

2-(2,3-dihydro-1-benzofuran-7-yl)-6-(trifluoromethyl)piperidine (PubChem CID 106781651) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-7-yl)-6-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-7-yl)-6-(trifluoromethyl)piperidine
PubChem CID106781651
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name2-(2,3-dihydro-1-benzofuran-7-yl)-6-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCCC(c2cccc3c2OCC3)N1
InChIInChI=1S/C14H16F3NO/c15-14(16,17)12-6-2-5-11(18-12)10-4-1-3-9-7-8-19-13(9)10/h1,3-4,11-12,18H,2,5-8H2
InChIKeyKCHQURSBZTWLSK-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)-6-(trifluoromethyl)piperidine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)-6-(trifluoromethyl)piperidine (CID 106781651) is 2-(2,3-dihydro-1-benzofuran-7-yl)-6-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-7-yl)-6-(trifluoromethyl)piperidine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-7-yl)-6-(trifluoromethyl)piperidine is FC(F)(F)C1CCCC(c2cccc3c2OCC3)N1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-7-yl)-6-(trifluoromethyl)piperidine?
The InChIKey is KCHQURSBZTWLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c15-14(16,17)12-6-2-5-11(18-12)10-4-1-3-9-7-8-19-13(9)10/h1,3-4,11-12,18H,2,5-8H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-7-yl)-6-(trifluoromethyl)piperidine?
2-(2,3-dihydro-1-benzofuran-7-yl)-6-(trifluoromethyl)piperidine has a molecular weight of 271.28 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-7-yl)-6-(trifluoromethyl)piperidine is sourced from PubChem (CID 106781651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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