5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine

C18H16FN — CID 140708544

IUPAC5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine
SMILESCC1CC(c2ccccc2)=NC=C1c1ccc(F)cc1
InChIInChI=1S/C18H16FN/c1-13-11-18(15-5-3-2-4-6-15)20-12-17(13)14-7-9-16(19)10-8-14/h2-10,12-13H,11H2,1H3
InChIKeyBQGQDMYIYHSVOE-UHFFFAOYSA-N
MW265.33 g/mol
LogP4.70
Rot. Bonds2

About 5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine

5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine (PubChem CID 140708544) has the molecular formula C18H16FN and a molecular weight of 265.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine
PubChem CID140708544
Molecular FormulaC18H16FN
Molecular Weight265.33 g/mol
Exact Mass265.13
IUPAC Name5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine
SMILESCC1CC(c2ccccc2)=NC=C1c1ccc(F)cc1
InChIInChI=1S/C18H16FN/c1-13-11-18(15-5-3-2-4-6-15)20-12-17(13)14-7-9-16(19)10-8-14/h2-10,12-13H,11H2,1H3
InChIKeyBQGQDMYIYHSVOE-UHFFFAOYSA-N
XLogP4.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine?
The IUPAC name of 5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine (CID 140708544) is 5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine?
The canonical SMILES for 5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine is CC1CC(c2ccccc2)=NC=C1c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine?
The InChIKey is BQGQDMYIYHSVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN/c1-13-11-18(15-5-3-2-4-6-15)20-12-17(13)14-7-9-16(19)10-8-14/h2-10,12-13H,11H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine?
5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine has a molecular weight of 265.33 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine is sourced from PubChem (CID 140708544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).