5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine

C10H14FN — CID 89167830

IUPAC5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
SMILESC=C/C(F)=C\C1=C(C)CCNC1
InChIInChI=1S/C10H14FN/c1-3-10(11)6-9-7-12-5-4-8(9)2/h3,6,12H,1,4-5,7H2,2H3/b10-6+
InChIKeyCLUBBSBAORCBBB-UXBLZVDNSA-N
MW167.23 g/mol
LogP2.34
Rot. Bonds2

About 5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine

5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 89167830) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
PubChem CID89167830
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
SMILESC=C/C(F)=C\C1=C(C)CCNC1
InChIInChI=1S/C10H14FN/c1-3-10(11)6-9-7-12-5-4-8(9)2/h3,6,12H,1,4-5,7H2,2H3/b10-6+
InChIKeyCLUBBSBAORCBBB-UXBLZVDNSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine (CID 89167830) is 5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine is C=C/C(F)=C\C1=C(C)CCNC1.
What is the InChIKey of 5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is CLUBBSBAORCBBB-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H14FN/c1-3-10(11)6-9-7-12-5-4-8(9)2/h3,6,12H,1,4-5,7H2,2H3/b10-6+.
What are the key properties of 5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine?
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 167.23 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 89167830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).