2,3,5,6-tetramethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine

C16H18F3N — CID 70432428

IUPAC2,3,5,6-tetramethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine
SMILESCC1=C(C)C(c2ccccc2C(F)(F)F)C(C)=C(C)N1
InChIInChI=1S/C16H18F3N/c1-9-11(3)20-12(4)10(2)15(9)13-7-5-6-8-14(13)16(17,18)19/h5-8,15,20H,1-4H3
InChIKeyDYVFSWOZYDXXKO-UHFFFAOYSA-N
MW281.32 g/mol
LogP4.98
Rot. Bonds1

About 2,3,5,6-tetramethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine

2,3,5,6-tetramethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine (PubChem CID 70432428) has the molecular formula C16H18F3N and a molecular weight of 281.32 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine
PubChem CID70432428
Molecular FormulaC16H18F3N
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC Name2,3,5,6-tetramethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine
SMILESCC1=C(C)C(c2ccccc2C(F)(F)F)C(C)=C(C)N1
InChIInChI=1S/C16H18F3N/c1-9-11(3)20-12(4)10(2)15(9)13-7-5-6-8-14(13)16(17,18)19/h5-8,15,20H,1-4H3
InChIKeyDYVFSWOZYDXXKO-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine?
The IUPAC name of 2,3,5,6-tetramethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine (CID 70432428) is 2,3,5,6-tetramethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine.
What is the SMILES notation for 2,3,5,6-tetramethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine?
The canonical SMILES for 2,3,5,6-tetramethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine is CC1=C(C)C(c2ccccc2C(F)(F)F)C(C)=C(C)N1.
What is the InChIKey of 2,3,5,6-tetramethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine?
The InChIKey is DYVFSWOZYDXXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N/c1-9-11(3)20-12(4)10(2)15(9)13-7-5-6-8-14(13)16(17,18)19/h5-8,15,20H,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine?
2,3,5,6-tetramethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine has a molecular weight of 281.32 g/mol, XLogP of 4.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine is sourced from PubChem (CID 70432428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).