1-fluoro-2,3-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine

C13H24FN — CID 139318274

IUPAC1-fluoro-2,3-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=C(C(C)C)C(C)C(C)N(F)C1
InChIInChI=1S/C13H24FN/c1-8(2)12-7-15(14)11(6)10(5)13(12)9(3)4/h8-11H,7H2,1-6H3
InChIKeyWMZPXFPTPFNYCP-UHFFFAOYSA-N
MW213.34 g/mol
LogP3.82
Rot. Bonds2

About 1-fluoro-2,3-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine

1-fluoro-2,3-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine (PubChem CID 139318274) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is 1-fluoro-2,3-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-fluoro-2,3-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine
PubChem CID139318274
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name1-fluoro-2,3-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=C(C(C)C)C(C)C(C)N(F)C1
InChIInChI=1S/C13H24FN/c1-8(2)12-7-15(14)11(6)10(5)13(12)9(3)4/h8-11H,7H2,1-6H3
InChIKeyWMZPXFPTPFNYCP-UHFFFAOYSA-N
XLogP3.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Fluoro-2,4-dimethyl-5-propan-2-yl-6-propan-2-ylideneazepane
CID 139500899
5-Butan-2-yl-1-fluoro-2,4-dimethyl-6-propan-2-yl-2,3,4,7-tetrahydroazepine
CID 139501108
5-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 174282058
(2S,3R,6S)-1-cyclohexyl-2,3-diethyl-4,5,6-trimethyl-3,6-dihydro-2H-pyridine
CID 134947514
1,2,3,5,6-pentamethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 59886905
4,5-ditert-butyl-1,2-dimethyl-3,6-dihydro-2H-pyridine
CID 60025260
2,3,4-Trimethyl-1-azabicyclo[3.3.1]non-3-ene
CID 89670015
1,4,5-tri(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 89876573
2,7,9,10-Tetramethyl-1,2,3,4,6,7,8,10a-octahydropyrido[1,2-a]azepine
CID 91573833
4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 122599461
1,5,6-Tri(propan-2-yl)-2,3,4,7-tetrahydroazepine
CID 140960262
ethane;5-methyl-4-(3-methylbutan-2-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 145202317

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,3-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-fluoro-2,3-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine (CID 139318274) is 1-fluoro-2,3-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-fluoro-2,3-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-fluoro-2,3-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine is CC(C)C1=C(C(C)C)C(C)C(C)N(F)C1.
What is the InChIKey of 1-fluoro-2,3-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is WMZPXFPTPFNYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN/c1-8(2)12-7-15(14)11(6)10(5)13(12)9(3)4/h8-11H,7H2,1-6H3.
What are the key properties of 1-fluoro-2,3-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
1-fluoro-2,3-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 213.34 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,3-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 139318274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).