4-(3-fluorophenyl)-2,3,5,6-tetramethyl-3,4-dihydropyridine

C15H18FN — CID 56638033

IUPAC4-(3-fluorophenyl)-2,3,5,6-tetramethyl-3,4-dihydropyridine
SMILESCC1=NC(C)=C(C)C(c2cccc(F)c2)C1C
InChIInChI=1S/C15H18FN/c1-9-11(3)17-12(4)10(2)15(9)13-6-5-7-14(16)8-13/h5-9,15H,1-4H3
InChIKeyWNPZKRJYQNFGDN-UHFFFAOYSA-N
MW231.31 g/mol
LogP4.31
Rot. Bonds1

About 4-(3-fluorophenyl)-2,3,5,6-tetramethyl-3,4-dihydropyridine

4-(3-fluorophenyl)-2,3,5,6-tetramethyl-3,4-dihydropyridine (PubChem CID 56638033) has the molecular formula C15H18FN and a molecular weight of 231.31 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2,3,5,6-tetramethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2,3,5,6-tetramethyl-3,4-dihydropyridine
PubChem CID56638033
Molecular FormulaC15H18FN
Molecular Weight231.31 g/mol
Exact Mass231.14
IUPAC Name4-(3-fluorophenyl)-2,3,5,6-tetramethyl-3,4-dihydropyridine
SMILESCC1=NC(C)=C(C)C(c2cccc(F)c2)C1C
InChIInChI=1S/C15H18FN/c1-9-11(3)17-12(4)10(2)15(9)13-6-5-7-14(16)8-13/h5-9,15H,1-4H3
InChIKeyWNPZKRJYQNFGDN-UHFFFAOYSA-N
XLogP4.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2,3,5,6-tetramethyl-3,4-dihydropyridine?
The IUPAC name of 4-(3-fluorophenyl)-2,3,5,6-tetramethyl-3,4-dihydropyridine (CID 56638033) is 4-(3-fluorophenyl)-2,3,5,6-tetramethyl-3,4-dihydropyridine.
What is the SMILES notation for 4-(3-fluorophenyl)-2,3,5,6-tetramethyl-3,4-dihydropyridine?
The canonical SMILES for 4-(3-fluorophenyl)-2,3,5,6-tetramethyl-3,4-dihydropyridine is CC1=NC(C)=C(C)C(c2cccc(F)c2)C1C.
What is the InChIKey of 4-(3-fluorophenyl)-2,3,5,6-tetramethyl-3,4-dihydropyridine?
The InChIKey is WNPZKRJYQNFGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN/c1-9-11(3)17-12(4)10(2)15(9)13-6-5-7-14(16)8-13/h5-9,15H,1-4H3.
What are the key properties of 4-(3-fluorophenyl)-2,3,5,6-tetramethyl-3,4-dihydropyridine?
4-(3-fluorophenyl)-2,3,5,6-tetramethyl-3,4-dihydropyridine has a molecular weight of 231.31 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2,3,5,6-tetramethyl-3,4-dihydropyridine is sourced from PubChem (CID 56638033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).