2-fluoro-4-methyl-2,3,4,5-tetrahydropyridine

C6H10FN — CID 70256119

IUPAC2-fluoro-4-methyl-2,3,4,5-tetrahydropyridine
SMILESCC1CC=NC(F)C1
InChIInChI=1S/C6H10FN/c1-5-2-3-8-6(7)4-5/h3,5-6H,2,4H2,1H3
InChIKeyWXZMMPCLQJPUFH-UHFFFAOYSA-N
MW115.15 g/mol
LogP1.78
Rot. Bonds

About 2-fluoro-4-methyl-2,3,4,5-tetrahydropyridine

2-fluoro-4-methyl-2,3,4,5-tetrahydropyridine (PubChem CID 70256119) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 2-fluoro-4-methyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name2-fluoro-4-methyl-2,3,4,5-tetrahydropyridine
PubChem CID70256119
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name2-fluoro-4-methyl-2,3,4,5-tetrahydropyridine
SMILESCC1CC=NC(F)C1
InChIInChI=1S/C6H10FN/c1-5-2-3-8-6(7)4-5/h3,5-6H,2,4H2,1H3
InChIKeyWXZMMPCLQJPUFH-UHFFFAOYSA-N
XLogP1.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.78
H-Bond Donors ≤ 50
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 2-fluoro-4-methyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 2-fluoro-4-methyl-2,3,4,5-tetrahydropyridine (CID 70256119) is 2-fluoro-4-methyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 2-fluoro-4-methyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 2-fluoro-4-methyl-2,3,4,5-tetrahydropyridine is CC1CC=NC(F)C1.
What is the InChIKey of 2-fluoro-4-methyl-2,3,4,5-tetrahydropyridine?
The InChIKey is WXZMMPCLQJPUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c1-5-2-3-8-6(7)4-5/h3,5-6H,2,4H2,1H3.
What are the key properties of 2-fluoro-4-methyl-2,3,4,5-tetrahydropyridine?
2-fluoro-4-methyl-2,3,4,5-tetrahydropyridine has a molecular weight of 115.15 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 70256119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).