3-fluoro-2,5-dimethyl-1,2,3,6-tetrahydropyridine

C7H12FN — CID 135217717

IUPAC3-fluoro-2,5-dimethyl-1,2,3,6-tetrahydropyridine
SMILESCC1=CC(F)C(C)NC1
InChIInChI=1S/C7H12FN/c1-5-3-7(8)6(2)9-4-5/h3,6-7,9H,4H2,1-2H3
InChIKeyKJRQHHVNHCHPEQ-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.26
Rot. Bonds

About 3-fluoro-2,5-dimethyl-1,2,3,6-tetrahydropyridine

3-fluoro-2,5-dimethyl-1,2,3,6-tetrahydropyridine (PubChem CID 135217717) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 3-fluoro-2,5-dimethyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name3-fluoro-2,5-dimethyl-1,2,3,6-tetrahydropyridine
PubChem CID135217717
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name3-fluoro-2,5-dimethyl-1,2,3,6-tetrahydropyridine
SMILESCC1=CC(F)C(C)NC1
InChIInChI=1S/C7H12FN/c1-5-3-7(8)6(2)9-4-5/h3,6-7,9H,4H2,1-2H3
InChIKeyKJRQHHVNHCHPEQ-UHFFFAOYSA-N
XLogP1.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,5-dimethyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 3-fluoro-2,5-dimethyl-1,2,3,6-tetrahydropyridine (CID 135217717) is 3-fluoro-2,5-dimethyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 3-fluoro-2,5-dimethyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 3-fluoro-2,5-dimethyl-1,2,3,6-tetrahydropyridine is CC1=CC(F)C(C)NC1.
What is the InChIKey of 3-fluoro-2,5-dimethyl-1,2,3,6-tetrahydropyridine?
The InChIKey is KJRQHHVNHCHPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-5-3-7(8)6(2)9-4-5/h3,6-7,9H,4H2,1-2H3.
What are the key properties of 3-fluoro-2,5-dimethyl-1,2,3,6-tetrahydropyridine?
3-fluoro-2,5-dimethyl-1,2,3,6-tetrahydropyridine has a molecular weight of 129.18 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,5-dimethyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 135217717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).