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

C12H21FN2 — CID 166140821

IUPAC3-fluoro-6-methyl-1,2,3,4-tetrahydropyridine;6-methyl-1,2,3,4-tetrahydropyridine
SMILESCC1=CCC(F)CN1.CC1=CCCCN1
InChIInChI=1S/C6H10FN.C6H11N/c1-5-2-3-6(7)4-8-5;1-6-4-2-3-5-7-6/h2,6,8H,3-4H2,1H3;4,7H,2-3,5H2,1H3
InChIKeyDYSNXACEINJWMX-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.50
Rot. Bonds

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

3-fluoro-6-methyl-1,2,3,4-tetrahydropyridine;6-methyl-1,2,3,4-tetrahydropyridine (PubChem CID 166140821) has the molecular formula C12H21FN2 and a molecular weight of 212.31 g/mol. Its IUPAC name is 3-fluoro-6-methyl-1,2,3,4-tetrahydropyridine;6-methyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name3-fluoro-6-methyl-1,2,3,4-tetrahydropyridine;6-methyl-1,2,3,4-tetrahydropyridine
PubChem CID166140821
Molecular FormulaC12H21FN2
Molecular Weight212.31 g/mol
Exact Mass212.17
IUPAC Name3-fluoro-6-methyl-1,2,3,4-tetrahydropyridine;6-methyl-1,2,3,4-tetrahydropyridine
SMILESCC1=CCC(F)CN1.CC1=CCCCN1
InChIInChI=1S/C6H10FN.C6H11N/c1-5-2-3-6(7)4-8-5;1-6-4-2-3-5-7-6/h2,6,8H,3-4H2,1H3;4,7H,2-3,5H2,1H3
InChIKeyDYSNXACEINJWMX-UHFFFAOYSA-N
XLogP2.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methyl-1,2,3,4-tetrahydropyridine;6-methyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 3-fluoro-6-methyl-1,2,3,4-tetrahydropyridine;6-methyl-1,2,3,4-tetrahydropyridine (CID 166140821) is 3-fluoro-6-methyl-1,2,3,4-tetrahydropyridine;6-methyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 3-fluoro-6-methyl-1,2,3,4-tetrahydropyridine;6-methyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 3-fluoro-6-methyl-1,2,3,4-tetrahydropyridine;6-methyl-1,2,3,4-tetrahydropyridine is CC1=CCC(F)CN1.CC1=CCCCN1.
What is the InChIKey of 3-fluoro-6-methyl-1,2,3,4-tetrahydropyridine;6-methyl-1,2,3,4-tetrahydropyridine?
The InChIKey is DYSNXACEINJWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN.C6H11N/c1-5-2-3-6(7)4-8-5;1-6-4-2-3-5-7-6/h2,6,8H,3-4H2,1H3;4,7H,2-3,5H2,1H3.
What are the key properties of 3-fluoro-6-methyl-1,2,3,4-tetrahydropyridine;6-methyl-1,2,3,4-tetrahydropyridine?
3-fluoro-6-methyl-1,2,3,4-tetrahydropyridine;6-methyl-1,2,3,4-tetrahydropyridine has a molecular weight of 212.31 g/mol, XLogP of 2.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methyl-1,2,3,4-tetrahydropyridine;6-methyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 166140821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).