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

C14H14F3N — CID 56614996

IUPAC2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine
SMILESCC1=CC(c2ccccc2C(F)(F)F)CC(C)=N1
InChIInChI=1S/C14H14F3N/c1-9-7-11(8-10(2)18-9)12-5-3-4-6-13(12)14(15,16)17/h3-7,11H,8H2,1-2H3
InChIKeyIMHBUGAGFDWPKM-UHFFFAOYSA-N
MW253.27 g/mol
LogP4.56
Rot. Bonds1

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

2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine (PubChem CID 56614996) has the molecular formula C14H14F3N and a molecular weight of 253.27 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine
PubChem CID56614996
Molecular FormulaC14H14F3N
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine
SMILESCC1=CC(c2ccccc2C(F)(F)F)CC(C)=N1
InChIInChI=1S/C14H14F3N/c1-9-7-11(8-10(2)18-9)12-5-3-4-6-13(12)14(15,16)17/h3-7,11H,8H2,1-2H3
InChIKeyIMHBUGAGFDWPKM-UHFFFAOYSA-N
XLogP4.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrrole
CID 134897417
N-methyl-fluorenylideneamine
CID 129739463
N,2-dimethyl-1-(2-methylphenyl)propan-1-imine
CID 130388186
2,6-Dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarbonitrile
CID 78479114
1-(1,1,2,2,3,3,3-Heptafluoropropyl)-4-methyl-3,4-dihydroisoquinoline
CID 12507581
4-Methyl-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-3,4-dihydroisoquinoline
CID 12507582
2,3,5,6-Tetramethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine
CID 53880143
4-(3-Fluorophenyl)-2,3,5,6-tetramethyl-3,4-dihydropyridine
CID 56638033
2,3,5,6-Tetramethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine
CID 57224216
4-ethyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-3H-pyrrole
CID 60007950
6-Tert-butyl-2-(4-fluorophenyl)-3,4-dihydropyridine
CID 68152356
4-fluoro-1-methyl-3-(2-methylphenyl)-3aH-isoindole
CID 68595036

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine?
The IUPAC name of 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine (CID 56614996) is 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine.
What is the SMILES notation for 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine?
The canonical SMILES for 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine is CC1=CC(c2ccccc2C(F)(F)F)CC(C)=N1.
What is the InChIKey of 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine?
The InChIKey is IMHBUGAGFDWPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N/c1-9-7-11(8-10(2)18-9)12-5-3-4-6-13(12)14(15,16)17/h3-7,11H,8H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine?
2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine has a molecular weight of 253.27 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine is sourced from PubChem (CID 56614996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).