2,3,5,6-tetramethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine

C16H18F3N — CID 57224216

IUPAC2,3,5,6-tetramethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine
SMILESCC1=NC(C)=C(C)C(c2ccc(C(F)(F)F)cc2)C1C
InChIInChI=1S/C16H18F3N/c1-9-11(3)20-12(4)10(2)15(9)13-5-7-14(8-6-13)16(17,18)19/h5-9,15H,1-4H3
InChIKeyAITQSHJURFGOPK-UHFFFAOYSA-N
MW281.32 g/mol
LogP5.19
Rot. Bonds1

About 2,3,5,6-tetramethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine

2,3,5,6-tetramethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine (PubChem CID 57224216) has the molecular formula C16H18F3N and a molecular weight of 281.32 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine
PubChem CID57224216
Molecular FormulaC16H18F3N
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC Name2,3,5,6-tetramethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine
SMILESCC1=NC(C)=C(C)C(c2ccc(C(F)(F)F)cc2)C1C
InChIInChI=1S/C16H18F3N/c1-9-11(3)20-12(4)10(2)15(9)13-5-7-14(8-6-13)16(17,18)19/h5-9,15H,1-4H3
InChIKeyAITQSHJURFGOPK-UHFFFAOYSA-N
XLogP5.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.32
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-prop-2-enyl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 71665450
N-butyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine
CID 134838373
(2R)-2-methyl-2-[(E)-2-phenylethenyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrole
CID 134956219
2,6-Dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarbonitrile
CID 78479114
N-methyl-N-[(E)-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-3-ylidene]amino]methanamine
CID 15410600
1-(4-benzylphenyl)-N-ethyl-2,2,2-trifluoroethanimine
CID 20728923
N-methyl-N-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-3-ylidene]amino]methanamine
CID 53853360
2,3,5,6-Tetramethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine
CID 53880143
2,6-Dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine
CID 56614996
4-(3-Fluorophenyl)-2,3,5,6-tetramethyl-3,4-dihydropyridine
CID 56638033
4-[4-(trifluoromethyl)phenyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine
CID 57083255
2,2,3,3,4,4,4-heptafluoro-N-methyl-1-(4-phenylphenyl)butan-1-imine
CID 57603510

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine?
The IUPAC name of 2,3,5,6-tetramethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine (CID 57224216) is 2,3,5,6-tetramethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine.
What is the SMILES notation for 2,3,5,6-tetramethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine?
The canonical SMILES for 2,3,5,6-tetramethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine is CC1=NC(C)=C(C)C(c2ccc(C(F)(F)F)cc2)C1C.
What is the InChIKey of 2,3,5,6-tetramethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine?
The InChIKey is AITQSHJURFGOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N/c1-9-11(3)20-12(4)10(2)15(9)13-5-7-14(8-6-13)16(17,18)19/h5-9,15H,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine?
2,3,5,6-tetramethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine has a molecular weight of 281.32 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine is sourced from PubChem (CID 57224216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).