1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine

C10H18FN — CID 131199791

IUPAC1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine
SMILESCCC(F)CN1CC=C(C)CC1
InChIInChI=1S/C10H18FN/c1-3-10(11)8-12-6-4-9(2)5-7-12/h4,10H,3,5-8H2,1-2H3
InChIKeyHVOYXIRSPKOFCM-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.39
Rot. Bonds3

About 1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine

1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine (PubChem CID 131199791) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine
PubChem CID131199791
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine
SMILESCCC(F)CN1CC=C(C)CC1
InChIInChI=1S/C10H18FN/c1-3-10(11)8-12-6-4-9(2)5-7-12/h4,10H,3,5-8H2,1-2H3
InChIKeyHVOYXIRSPKOFCM-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
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 1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine (CID 131199791) is 1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine is CCC(F)CN1CC=C(C)CC1.
What is the InChIKey of 1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is HVOYXIRSPKOFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-3-10(11)8-12-6-4-9(2)5-7-12/h4,10H,3,5-8H2,1-2H3.
What are the key properties of 1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine?
1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 171.26 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 131199791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).