6-(3-fluorophenyl)-2,3,4,5-tetrahydropyridine

C11H12FN — CID 12009050

IUPAC6-(3-fluorophenyl)-2,3,4,5-tetrahydropyridine
SMILESFc1cccc(C2=NCCCC2)c1
InChIInChI=1S/C11H12FN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8H,1-2,6-7H2
InChIKeyNDEYLYXEJFWGDB-UHFFFAOYSA-N
MW177.22 g/mol
LogP2.80
Rot. Bonds1

About 6-(3-fluorophenyl)-2,3,4,5-tetrahydropyridine

6-(3-fluorophenyl)-2,3,4,5-tetrahydropyridine (PubChem CID 12009050) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-(3-fluorophenyl)-2,3,4,5-tetrahydropyridine
PubChem CID12009050
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name6-(3-fluorophenyl)-2,3,4,5-tetrahydropyridine
SMILESFc1cccc(C2=NCCCC2)c1
InChIInChI=1S/C11H12FN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8H,1-2,6-7H2
InChIKeyNDEYLYXEJFWGDB-UHFFFAOYSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-(3-fluorophenyl)-2,3,4,5-tetrahydropyridine (CID 12009050) is 6-(3-fluorophenyl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-(3-fluorophenyl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-(3-fluorophenyl)-2,3,4,5-tetrahydropyridine is Fc1cccc(C2=NCCCC2)c1.
What is the InChIKey of 6-(3-fluorophenyl)-2,3,4,5-tetrahydropyridine?
The InChIKey is NDEYLYXEJFWGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8H,1-2,6-7H2.
What are the key properties of 6-(3-fluorophenyl)-2,3,4,5-tetrahydropyridine?
6-(3-fluorophenyl)-2,3,4,5-tetrahydropyridine has a molecular weight of 177.22 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 12009050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).