1-butyl-3-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyridine

C11H20FN — CID 135217718

IUPAC1-butyl-3-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyridine
SMILESCCCCN1C=C(C)CC(F)C1C
InChIInChI=1S/C11H20FN/c1-4-5-6-13-8-9(2)7-11(12)10(13)3/h8,10-11H,4-7H2,1-3H3
InChIKeyLQZDWXFBGZWQAN-UHFFFAOYSA-N
MW185.29 g/mol
LogP3.12
Rot. Bonds3

About 1-butyl-3-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyridine

1-butyl-3-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyridine (PubChem CID 135217718) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-butyl-3-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-butyl-3-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyridine
PubChem CID135217718
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name1-butyl-3-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyridine
SMILESCCCCN1C=C(C)CC(F)C1C
InChIInChI=1S/C11H20FN/c1-4-5-6-13-8-9(2)7-11(12)10(13)3/h8,10-11H,4-7H2,1-3H3
InChIKeyLQZDWXFBGZWQAN-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-butyl-3-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 1-butyl-3-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyridine (CID 135217718) is 1-butyl-3-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1-butyl-3-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1-butyl-3-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyridine is CCCCN1C=C(C)CC(F)C1C.
What is the InChIKey of 1-butyl-3-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyridine?
The InChIKey is LQZDWXFBGZWQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-4-5-6-13-8-9(2)7-11(12)10(13)3/h8,10-11H,4-7H2,1-3H3.
What are the key properties of 1-butyl-3-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyridine?
1-butyl-3-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyridine has a molecular weight of 185.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 135217718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).