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

C15H16FNO — CID 141038850

IUPAC4-(5-fluoro-1-benzofuran-7-yl)-2,6-dimethyl-1,2,3,6-tetrahydropyridine
SMILESCC1C=C(c2cc(F)cc3ccoc23)CC(C)N1
InChIInChI=1S/C15H16FNO/c1-9-5-12(6-10(2)17-9)14-8-13(16)7-11-3-4-18-15(11)14/h3-5,7-10,17H,6H2,1-2H3
InChIKeyJLDYHOOVTPDANM-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.73
Rot. Bonds1

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

4-(5-fluoro-1-benzofuran-7-yl)-2,6-dimethyl-1,2,3,6-tetrahydropyridine (PubChem CID 141038850) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-(5-fluoro-1-benzofuran-7-yl)-2,6-dimethyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(5-fluoro-1-benzofuran-7-yl)-2,6-dimethyl-1,2,3,6-tetrahydropyridine
PubChem CID141038850
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name4-(5-fluoro-1-benzofuran-7-yl)-2,6-dimethyl-1,2,3,6-tetrahydropyridine
SMILESCC1C=C(c2cc(F)cc3ccoc23)CC(C)N1
InChIInChI=1S/C15H16FNO/c1-9-5-12(6-10(2)17-9)14-8-13(16)7-11-3-4-18-15(11)14/h3-5,7-10,17H,6H2,1-2H3
InChIKeyJLDYHOOVTPDANM-UHFFFAOYSA-N
XLogP3.73
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.73
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)-2,6-dimethyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(5-fluoro-1-benzofuran-7-yl)-2,6-dimethyl-1,2,3,6-tetrahydropyridine (CID 141038850) is 4-(5-fluoro-1-benzofuran-7-yl)-2,6-dimethyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(5-fluoro-1-benzofuran-7-yl)-2,6-dimethyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(5-fluoro-1-benzofuran-7-yl)-2,6-dimethyl-1,2,3,6-tetrahydropyridine is CC1C=C(c2cc(F)cc3ccoc23)CC(C)N1.
What is the InChIKey of 4-(5-fluoro-1-benzofuran-7-yl)-2,6-dimethyl-1,2,3,6-tetrahydropyridine?
The InChIKey is JLDYHOOVTPDANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-9-5-12(6-10(2)17-9)14-8-13(16)7-11-3-4-18-15(11)14/h3-5,7-10,17H,6H2,1-2H3.
What are the key properties of 4-(5-fluoro-1-benzofuran-7-yl)-2,6-dimethyl-1,2,3,6-tetrahydropyridine?
4-(5-fluoro-1-benzofuran-7-yl)-2,6-dimethyl-1,2,3,6-tetrahydropyridine has a molecular weight of 245.30 g/mol, XLogP of 3.73, 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)-2,6-dimethyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 141038850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).