2-fluoro-5-(5-methyl-4-propan-2-ylhex-5-en-3-yl)-2,3,4,5-tetrahydropyridine

C15H26FN — CID 174243678

IUPAC2-fluoro-5-(5-methyl-4-propan-2-ylhex-5-en-3-yl)-2,3,4,5-tetrahydropyridine
SMILESC=C(C)C(C(C)C)C(CC)C1C=NC(F)CC1
InChIInChI=1S/C15H26FN/c1-6-13(15(10(2)3)11(4)5)12-7-8-14(16)17-9-12/h9,11-15H,2,6-8H2,1,3-5H3
InChIKeyQDOQJCQXIQHOTO-UHFFFAOYSA-N
MW239.38 g/mol
LogP4.64
Rot. Bonds5

About 2-fluoro-5-(5-methyl-4-propan-2-ylhex-5-en-3-yl)-2,3,4,5-tetrahydropyridine

2-fluoro-5-(5-methyl-4-propan-2-ylhex-5-en-3-yl)-2,3,4,5-tetrahydropyridine (PubChem CID 174243678) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-fluoro-5-(5-methyl-4-propan-2-ylhex-5-en-3-yl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name2-fluoro-5-(5-methyl-4-propan-2-ylhex-5-en-3-yl)-2,3,4,5-tetrahydropyridine
PubChem CID174243678
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC Name2-fluoro-5-(5-methyl-4-propan-2-ylhex-5-en-3-yl)-2,3,4,5-tetrahydropyridine
SMILESC=C(C)C(C(C)C)C(CC)C1C=NC(F)CC1
InChIInChI=1S/C15H26FN/c1-6-13(15(10(2)3)11(4)5)12-7-8-14(16)17-9-12/h9,11-15H,2,6-8H2,1,3-5H3
InChIKeyQDOQJCQXIQHOTO-UHFFFAOYSA-N
XLogP4.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
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-5-(5-methyl-4-propan-2-ylhex-5-en-3-yl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 2-fluoro-5-(5-methyl-4-propan-2-ylhex-5-en-3-yl)-2,3,4,5-tetrahydropyridine (CID 174243678) is 2-fluoro-5-(5-methyl-4-propan-2-ylhex-5-en-3-yl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 2-fluoro-5-(5-methyl-4-propan-2-ylhex-5-en-3-yl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 2-fluoro-5-(5-methyl-4-propan-2-ylhex-5-en-3-yl)-2,3,4,5-tetrahydropyridine is C=C(C)C(C(C)C)C(CC)C1C=NC(F)CC1.
What is the InChIKey of 2-fluoro-5-(5-methyl-4-propan-2-ylhex-5-en-3-yl)-2,3,4,5-tetrahydropyridine?
The InChIKey is QDOQJCQXIQHOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN/c1-6-13(15(10(2)3)11(4)5)12-7-8-14(16)17-9-12/h9,11-15H,2,6-8H2,1,3-5H3.
What are the key properties of 2-fluoro-5-(5-methyl-4-propan-2-ylhex-5-en-3-yl)-2,3,4,5-tetrahydropyridine?
2-fluoro-5-(5-methyl-4-propan-2-ylhex-5-en-3-yl)-2,3,4,5-tetrahydropyridine has a molecular weight of 239.38 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(5-methyl-4-propan-2-ylhex-5-en-3-yl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 174243678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).