5-(1-fluorobut-3-enyl)-2-methyl-3,4-dihydropyridine

C10H14FN — CID 123876492

IUPAC5-(1-fluorobut-3-enyl)-2-methyl-3,4-dihydropyridine
SMILESC=CCC(F)C1=CN=C(C)CC1
InChIInChI=1S/C10H14FN/c1-3-4-10(11)9-6-5-8(2)12-7-9/h3,7,10H,1,4-6H2,2H3
InChIKeyGIGCWJZCSAWUTA-UHFFFAOYSA-N
MW167.23 g/mol
LogP3.04
Rot. Bonds3

About 5-(1-fluorobut-3-enyl)-2-methyl-3,4-dihydropyridine

5-(1-fluorobut-3-enyl)-2-methyl-3,4-dihydropyridine (PubChem CID 123876492) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 5-(1-fluorobut-3-enyl)-2-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-(1-fluorobut-3-enyl)-2-methyl-3,4-dihydropyridine
PubChem CID123876492
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name5-(1-fluorobut-3-enyl)-2-methyl-3,4-dihydropyridine
SMILESC=CCC(F)C1=CN=C(C)CC1
InChIInChI=1S/C10H14FN/c1-3-4-10(11)9-6-5-8(2)12-7-9/h3,7,10H,1,4-6H2,2H3
InChIKeyGIGCWJZCSAWUTA-UHFFFAOYSA-N
XLogP3.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 53.04
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

N-[(Z)-2-ethenylhept-1-enyl]-1,1,1-trifluorohexan-2-imine
CID 121405090
3-Fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine
CID 154991486
2-(1-Fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine
CID 170274335
2-Ethyl-3-fluoro-3,4-dihydropyridine
CID 142996668
2-Methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-3,4-dihydropyridine
CID 144809525
2-Ethyl-3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine
CID 162610262
2-Methyl-5-propyl-3,4-dihydropyridine
CID 131983398
N-[(E)-2-propylhex-1-enyl]butan-2-imine
CID 134559625
N-[(1Z)-2-methylbuta-1,3-dienyl]dec-1-en-3-imine
CID 134565911
2-Ethyl-5-methyl-3,4-dihydropyridine
CID 142111118
5-Ethyl-2-methyl-3,4-dihydropyridine
CID 143586067
Ethane;5-methyl-2-propyl-3,4-dihydropyridine
CID 144086806

Frequently Asked Questions

What is the IUPAC name of 5-(1-fluorobut-3-enyl)-2-methyl-3,4-dihydropyridine?
The IUPAC name of 5-(1-fluorobut-3-enyl)-2-methyl-3,4-dihydropyridine (CID 123876492) is 5-(1-fluorobut-3-enyl)-2-methyl-3,4-dihydropyridine.
What is the SMILES notation for 5-(1-fluorobut-3-enyl)-2-methyl-3,4-dihydropyridine?
The canonical SMILES for 5-(1-fluorobut-3-enyl)-2-methyl-3,4-dihydropyridine is C=CCC(F)C1=CN=C(C)CC1.
What is the InChIKey of 5-(1-fluorobut-3-enyl)-2-methyl-3,4-dihydropyridine?
The InChIKey is GIGCWJZCSAWUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-3-4-10(11)9-6-5-8(2)12-7-9/h3,7,10H,1,4-6H2,2H3.
What are the key properties of 5-(1-fluorobut-3-enyl)-2-methyl-3,4-dihydropyridine?
5-(1-fluorobut-3-enyl)-2-methyl-3,4-dihydropyridine has a molecular weight of 167.23 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluorobut-3-enyl)-2-methyl-3,4-dihydropyridine is sourced from PubChem (CID 123876492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).