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

C11H12FN — CID 12009048

IUPAC6-(4-fluorophenyl)-2,3,4,5-tetrahydropyridine
SMILESFc1ccc(C2=NCCCC2)cc1
InChIInChI=1S/C11H12FN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h4-7H,1-3,8H2
InChIKeyBSJWFZCNURBHIM-UHFFFAOYSA-N
MW177.22 g/mol
LogP2.80
Rot. Bonds1

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

6-(4-fluorophenyl)-2,3,4,5-tetrahydropyridine (PubChem CID 12009048) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2,3,4,5-tetrahydropyridine
PubChem CID12009048
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name6-(4-fluorophenyl)-2,3,4,5-tetrahydropyridine
SMILESFc1ccc(C2=NCCCC2)cc1
InChIInChI=1S/C11H12FN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h4-7H,1-3,8H2
InChIKeyBSJWFZCNURBHIM-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-(4-fluorophenyl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-(4-fluorophenyl)-2,3,4,5-tetrahydropyridine (CID 12009048) is 6-(4-fluorophenyl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-(4-fluorophenyl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-(4-fluorophenyl)-2,3,4,5-tetrahydropyridine is Fc1ccc(C2=NCCCC2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-2,3,4,5-tetrahydropyridine?
The InChIKey is BSJWFZCNURBHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h4-7H,1-3,8H2.
What are the key properties of 6-(4-fluorophenyl)-2,3,4,5-tetrahydropyridine?
6-(4-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-(4-fluorophenyl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 12009048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).