5-[(E)-2-(4-fluorophenyl)but-1-enyl]-3-propyl-1,2-dihydropyridine

C18H22FN — CID 134292857

IUPAC5-[(E)-2-(4-fluorophenyl)but-1-enyl]-3-propyl-1,2-dihydropyridine
SMILESCCCC1=CC(/C=C(\CC)c2ccc(F)cc2)=CNC1
InChIInChI=1S/C18H22FN/c1-3-5-14-10-15(13-20-12-14)11-16(4-2)17-6-8-18(19)9-7-17/h6-11,13,20H,3-5,12H2,1-2H3/b16-11+
InChIKeyGEDUYFPGQGACEC-LFIBNONCSA-N
MW271.38 g/mol
LogP4.83
Rot. Bonds5

About 5-[(E)-2-(4-fluorophenyl)but-1-enyl]-3-propyl-1,2-dihydropyridine

5-[(E)-2-(4-fluorophenyl)but-1-enyl]-3-propyl-1,2-dihydropyridine (PubChem CID 134292857) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 5-[(E)-2-(4-fluorophenyl)but-1-enyl]-3-propyl-1,2-dihydropyridine.

Molecular Properties

Compound Name5-[(E)-2-(4-fluorophenyl)but-1-enyl]-3-propyl-1,2-dihydropyridine
PubChem CID134292857
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name5-[(E)-2-(4-fluorophenyl)but-1-enyl]-3-propyl-1,2-dihydropyridine
SMILESCCCC1=CC(/C=C(\CC)c2ccc(F)cc2)=CNC1
InChIInChI=1S/C18H22FN/c1-3-5-14-10-15(13-20-12-14)11-16(4-2)17-6-8-18(19)9-7-17/h6-11,13,20H,3-5,12H2,1-2H3/b16-11+
InChIKeyGEDUYFPGQGACEC-LFIBNONCSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-fluoro-4-propylbenzene
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(Z)-4-(4-fluorophenyl)-N-methylhept-3-en-2-imine
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4-fluoro-N-methyl-N-propylbenzamide
CID 60928889
ethane;5-fluoro-2-propylphenol
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(4-fluorophenyl)-triethylgermylmethanone
CID 13109997
ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene
CID 142869478

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-fluorophenyl)but-1-enyl]-3-propyl-1,2-dihydropyridine?
The IUPAC name of 5-[(E)-2-(4-fluorophenyl)but-1-enyl]-3-propyl-1,2-dihydropyridine (CID 134292857) is 5-[(E)-2-(4-fluorophenyl)but-1-enyl]-3-propyl-1,2-dihydropyridine.
What is the SMILES notation for 5-[(E)-2-(4-fluorophenyl)but-1-enyl]-3-propyl-1,2-dihydropyridine?
The canonical SMILES for 5-[(E)-2-(4-fluorophenyl)but-1-enyl]-3-propyl-1,2-dihydropyridine is CCCC1=CC(/C=C(\CC)c2ccc(F)cc2)=CNC1.
What is the InChIKey of 5-[(E)-2-(4-fluorophenyl)but-1-enyl]-3-propyl-1,2-dihydropyridine?
The InChIKey is GEDUYFPGQGACEC-LFIBNONCSA-N. The full InChI is InChI=1S/C18H22FN/c1-3-5-14-10-15(13-20-12-14)11-16(4-2)17-6-8-18(19)9-7-17/h6-11,13,20H,3-5,12H2,1-2H3/b16-11+.
What are the key properties of 5-[(E)-2-(4-fluorophenyl)but-1-enyl]-3-propyl-1,2-dihydropyridine?
5-[(E)-2-(4-fluorophenyl)but-1-enyl]-3-propyl-1,2-dihydropyridine has a molecular weight of 271.38 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-fluorophenyl)but-1-enyl]-3-propyl-1,2-dihydropyridine is sourced from PubChem (CID 134292857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).