1-(2-fluoro-2-methylpropyl)-6,6-dimethyl-2,5-dihydropyridine

C11H20FN — CID 144749581

IUPAC1-(2-fluoro-2-methylpropyl)-6,6-dimethyl-2,5-dihydropyridine
SMILESCC(C)(F)CN1CC=CCC1(C)C
InChIInChI=1S/C11H20FN/c1-10(2,12)9-13-8-6-5-7-11(13,3)4/h5-6H,7-9H2,1-4H3
InChIKeyLIMSCZVEIMZHGA-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.78
Rot. Bonds2

About 1-(2-fluoro-2-methylpropyl)-6,6-dimethyl-2,5-dihydropyridine

1-(2-fluoro-2-methylpropyl)-6,6-dimethyl-2,5-dihydropyridine (PubChem CID 144749581) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-(2-fluoro-2-methylpropyl)-6,6-dimethyl-2,5-dihydropyridine.

Molecular Properties

Compound Name1-(2-fluoro-2-methylpropyl)-6,6-dimethyl-2,5-dihydropyridine
PubChem CID144749581
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name1-(2-fluoro-2-methylpropyl)-6,6-dimethyl-2,5-dihydropyridine
SMILESCC(C)(F)CN1CC=CCC1(C)C
InChIInChI=1S/C11H20FN/c1-10(2,12)9-13-8-6-5-7-11(13,3)4/h5-6H,7-9H2,1-4H3
InChIKeyLIMSCZVEIMZHGA-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.78
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-fluoro-2-methylpropyl)-6,6-dimethyl-2,5-dihydropyridine?
The IUPAC name of 1-(2-fluoro-2-methylpropyl)-6,6-dimethyl-2,5-dihydropyridine (CID 144749581) is 1-(2-fluoro-2-methylpropyl)-6,6-dimethyl-2,5-dihydropyridine.
What is the SMILES notation for 1-(2-fluoro-2-methylpropyl)-6,6-dimethyl-2,5-dihydropyridine?
The canonical SMILES for 1-(2-fluoro-2-methylpropyl)-6,6-dimethyl-2,5-dihydropyridine is CC(C)(F)CN1CC=CCC1(C)C.
What is the InChIKey of 1-(2-fluoro-2-methylpropyl)-6,6-dimethyl-2,5-dihydropyridine?
The InChIKey is LIMSCZVEIMZHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-10(2,12)9-13-8-6-5-7-11(13,3)4/h5-6H,7-9H2,1-4H3.
What are the key properties of 1-(2-fluoro-2-methylpropyl)-6,6-dimethyl-2,5-dihydropyridine?
1-(2-fluoro-2-methylpropyl)-6,6-dimethyl-2,5-dihydropyridine has a molecular weight of 185.29 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-2-methylpropyl)-6,6-dimethyl-2,5-dihydropyridine is sourced from PubChem (CID 144749581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).