6-fluoro-4-methyl-1,2,3,4-tetrahydropyridine

C6H10FN — CID 165088339

IUPAC6-fluoro-4-methyl-1,2,3,4-tetrahydropyridine
SMILESCC1C=C(F)NCC1
InChIInChI=1S/C6H10FN/c1-5-2-3-8-6(7)4-5/h4-5,8H,2-3H2,1H3
InChIKeyWGTSYTBLFGUERK-UHFFFAOYSA-N
MW115.15 g/mol
LogP1.43
Rot. Bonds

About 6-fluoro-4-methyl-1,2,3,4-tetrahydropyridine

6-fluoro-4-methyl-1,2,3,4-tetrahydropyridine (PubChem CID 165088339) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 6-fluoro-4-methyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name6-fluoro-4-methyl-1,2,3,4-tetrahydropyridine
PubChem CID165088339
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name6-fluoro-4-methyl-1,2,3,4-tetrahydropyridine
SMILESCC1C=C(F)NCC1
InChIInChI=1S/C6H10FN/c1-5-2-3-8-6(7)4-5/h4-5,8H,2-3H2,1H3
InChIKeyWGTSYTBLFGUERK-UHFFFAOYSA-N
XLogP1.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 6-fluoro-4-methyl-1,2,3,4-tetrahydropyridine (CID 165088339) is 6-fluoro-4-methyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 6-fluoro-4-methyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 6-fluoro-4-methyl-1,2,3,4-tetrahydropyridine is CC1C=C(F)NCC1.
What is the InChIKey of 6-fluoro-4-methyl-1,2,3,4-tetrahydropyridine?
The InChIKey is WGTSYTBLFGUERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c1-5-2-3-8-6(7)4-5/h4-5,8H,2-3H2,1H3.
What are the key properties of 6-fluoro-4-methyl-1,2,3,4-tetrahydropyridine?
6-fluoro-4-methyl-1,2,3,4-tetrahydropyridine has a molecular weight of 115.15 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 165088339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).