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

C6H10FN — CID 57170630

IUPAC2-fluoro-3-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1C=CCNC1F
InChIInChI=1S/C6H10FN/c1-5-3-2-4-8-6(5)7/h2-3,5-6,8H,4H2,1H3
InChIKeyIYXWAYLOIAXGEO-UHFFFAOYSA-N
MW115.15 g/mol
LogP1.08
Rot. Bonds

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

2-fluoro-3-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 57170630) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 2-fluoro-3-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-fluoro-3-methyl-1,2,3,6-tetrahydropyridine
PubChem CID57170630
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name2-fluoro-3-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1C=CCNC1F
InChIInChI=1S/C6H10FN/c1-5-3-2-4-8-6(5)7/h2-3,5-6,8H,4H2,1H3
InChIKeyIYXWAYLOIAXGEO-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-fluoro-3-methyl-1,2,3,6-tetrahydropyridine (CID 57170630) is 2-fluoro-3-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-fluoro-3-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-fluoro-3-methyl-1,2,3,6-tetrahydropyridine is CC1C=CCNC1F.
What is the InChIKey of 2-fluoro-3-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is IYXWAYLOIAXGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c1-5-3-2-4-8-6(5)7/h2-3,5-6,8H,4H2,1H3.
What are the key properties of 2-fluoro-3-methyl-1,2,3,6-tetrahydropyridine?
2-fluoro-3-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 115.15 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 57170630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).