2-(1-fluoroprop-2-enyl)-1,4-dihydropyridine

C8H10FN — CID 70438730

IUPAC2-(1-fluoroprop-2-enyl)-1,4-dihydropyridine
SMILESC=CC(F)C1=CCC=CN1
InChIInChI=1S/C8H10FN/c1-2-7(9)8-5-3-4-6-10-8/h2,4-7,10H,1,3H2
InChIKeyKIBKGGKAIVUBEI-UHFFFAOYSA-N
MW139.17 g/mol
LogP1.90
Rot. Bonds2

About 2-(1-fluoroprop-2-enyl)-1,4-dihydropyridine

2-(1-fluoroprop-2-enyl)-1,4-dihydropyridine (PubChem CID 70438730) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 2-(1-fluoroprop-2-enyl)-1,4-dihydropyridine.

Molecular Properties

Compound Name2-(1-fluoroprop-2-enyl)-1,4-dihydropyridine
PubChem CID70438730
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name2-(1-fluoroprop-2-enyl)-1,4-dihydropyridine
SMILESC=CC(F)C1=CCC=CN1
InChIInChI=1S/C8H10FN/c1-2-7(9)8-5-3-4-6-10-8/h2,4-7,10H,1,3H2
InChIKeyKIBKGGKAIVUBEI-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 51.90
H-Bond Donors ≤ 51
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 2-(1-fluoroprop-2-enyl)-1,4-dihydropyridine?
The IUPAC name of 2-(1-fluoroprop-2-enyl)-1,4-dihydropyridine (CID 70438730) is 2-(1-fluoroprop-2-enyl)-1,4-dihydropyridine.
What is the SMILES notation for 2-(1-fluoroprop-2-enyl)-1,4-dihydropyridine?
The canonical SMILES for 2-(1-fluoroprop-2-enyl)-1,4-dihydropyridine is C=CC(F)C1=CCC=CN1.
What is the InChIKey of 2-(1-fluoroprop-2-enyl)-1,4-dihydropyridine?
The InChIKey is KIBKGGKAIVUBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c1-2-7(9)8-5-3-4-6-10-8/h2,4-7,10H,1,3H2.
What are the key properties of 2-(1-fluoroprop-2-enyl)-1,4-dihydropyridine?
2-(1-fluoroprop-2-enyl)-1,4-dihydropyridine has a molecular weight of 139.17 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroprop-2-enyl)-1,4-dihydropyridine is sourced from PubChem (CID 70438730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).