4-(5-fluoro-1-benzofuran-7-yl)-1,2,3,6-tetrahydropyridine

C13H12FNO — CID 12044145

IUPAC4-(5-fluoro-1-benzofuran-7-yl)-1,2,3,6-tetrahydropyridine
SMILESFc1cc(C2=CCNCC2)c2occc2c1
InChIInChI=1S/C13H12FNO/c14-11-7-10-3-6-16-13(10)12(8-11)9-1-4-15-5-2-9/h1,3,6-8,15H,2,4-5H2
InChIKeyJVYXYRROARVBQZ-UHFFFAOYSA-N
MW217.24 g/mol
LogP2.95
Rot. Bonds1

About 4-(5-fluoro-1-benzofuran-7-yl)-1,2,3,6-tetrahydropyridine

4-(5-fluoro-1-benzofuran-7-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 12044145) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 4-(5-fluoro-1-benzofuran-7-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(5-fluoro-1-benzofuran-7-yl)-1,2,3,6-tetrahydropyridine
PubChem CID12044145
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name4-(5-fluoro-1-benzofuran-7-yl)-1,2,3,6-tetrahydropyridine
SMILESFc1cc(C2=CCNCC2)c2occc2c1
InChIInChI=1S/C13H12FNO/c14-11-7-10-3-6-16-13(10)12(8-11)9-1-4-15-5-2-9/h1,3,6-8,15H,2,4-5H2
InChIKeyJVYXYRROARVBQZ-UHFFFAOYSA-N
XLogP2.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1-benzofuran-7-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(5-fluoro-1-benzofuran-7-yl)-1,2,3,6-tetrahydropyridine (CID 12044145) is 4-(5-fluoro-1-benzofuran-7-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(5-fluoro-1-benzofuran-7-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(5-fluoro-1-benzofuran-7-yl)-1,2,3,6-tetrahydropyridine is Fc1cc(C2=CCNCC2)c2occc2c1.
What is the InChIKey of 4-(5-fluoro-1-benzofuran-7-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is JVYXYRROARVBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c14-11-7-10-3-6-16-13(10)12(8-11)9-1-4-15-5-2-9/h1,3,6-8,15H,2,4-5H2.
What are the key properties of 4-(5-fluoro-1-benzofuran-7-yl)-1,2,3,6-tetrahydropyridine?
4-(5-fluoro-1-benzofuran-7-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 217.24 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1-benzofuran-7-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 12044145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).