2-butyl-6-fluoro-5-propan-2-yl-2,5-dihydropyridine

C12H20FN — CID 12754574

IUPAC2-butyl-6-fluoro-5-propan-2-yl-2,5-dihydropyridine
SMILESCCCCC1C=CC(C(C)C)C(F)=N1
InChIInChI=1S/C12H20FN/c1-4-5-6-10-7-8-11(9(2)3)12(13)14-10/h7-11H,4-6H2,1-3H3
InChIKeyRKEQOFTTWNZGJU-UHFFFAOYSA-N
MW197.30 g/mol
LogP3.76
Rot. Bonds4

About 2-butyl-6-fluoro-5-propan-2-yl-2,5-dihydropyridine

2-butyl-6-fluoro-5-propan-2-yl-2,5-dihydropyridine (PubChem CID 12754574) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-butyl-6-fluoro-5-propan-2-yl-2,5-dihydropyridine.

Molecular Properties

Compound Name2-butyl-6-fluoro-5-propan-2-yl-2,5-dihydropyridine
PubChem CID12754574
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name2-butyl-6-fluoro-5-propan-2-yl-2,5-dihydropyridine
SMILESCCCCC1C=CC(C(C)C)C(F)=N1
InChIInChI=1S/C12H20FN/c1-4-5-6-10-7-8-11(9(2)3)12(13)14-10/h7-11H,4-6H2,1-3H3
InChIKeyRKEQOFTTWNZGJU-UHFFFAOYSA-N
XLogP3.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Butyl-6-fluoro-2,5-dihydropyridine
CID 12754568
2-Butyl-6-fluoro-2,5-dihydro-5-methylpyridine
CID 12754572
2-Butyl-5-ethyl-6-fluoro-2,5-dihydropyridine
CID 12754573
3,4,5-trimethyl-2-(3-methylpenta-1,4-dienyl)-3,4-dihydro-2H-pyrrole
CID 123700934
N-(6-methylcyclohex-2-en-1-yl)butan-2-imine
CID 142019920
(3R)-2-[(Z)-but-1-enyl]-3,4-dimethyl-2,3,4,5-tetrahydropyridine
CID 174286987

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-fluoro-5-propan-2-yl-2,5-dihydropyridine?
The IUPAC name of 2-butyl-6-fluoro-5-propan-2-yl-2,5-dihydropyridine (CID 12754574) is 2-butyl-6-fluoro-5-propan-2-yl-2,5-dihydropyridine.
What is the SMILES notation for 2-butyl-6-fluoro-5-propan-2-yl-2,5-dihydropyridine?
The canonical SMILES for 2-butyl-6-fluoro-5-propan-2-yl-2,5-dihydropyridine is CCCCC1C=CC(C(C)C)C(F)=N1.
What is the InChIKey of 2-butyl-6-fluoro-5-propan-2-yl-2,5-dihydropyridine?
The InChIKey is RKEQOFTTWNZGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN/c1-4-5-6-10-7-8-11(9(2)3)12(13)14-10/h7-11H,4-6H2,1-3H3.
What are the key properties of 2-butyl-6-fluoro-5-propan-2-yl-2,5-dihydropyridine?
2-butyl-6-fluoro-5-propan-2-yl-2,5-dihydropyridine has a molecular weight of 197.30 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-fluoro-5-propan-2-yl-2,5-dihydropyridine is sourced from PubChem (CID 12754574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).