2,4-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine

C8H10F3N — CID 148775053

IUPAC2,4-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1=NC=C(C(F)(F)F)C(C)C1
InChIInChI=1S/C8H10F3N/c1-5-3-6(2)12-4-7(5)8(9,10)11/h4-5H,3H2,1-2H3
InChIKeyOJEKEKPUYYCVBY-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.93
Rot. Bonds

About 2,4-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine

2,4-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine (PubChem CID 148775053) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 2,4-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2,4-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine
PubChem CID148775053
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name2,4-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1=NC=C(C(F)(F)F)C(C)C1
InChIInChI=1S/C8H10F3N/c1-5-3-6(2)12-4-7(5)8(9,10)11/h4-5H,3H2,1-2H3
InChIKeyOJEKEKPUYYCVBY-UHFFFAOYSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methyl-2-(trifluoromethyl)-3,4-dihydropyridine
CID 68046822
3-methyl-4-methylidene-5-(trifluoromethyl)-3H-pyridine
CID 117863563
N-[(E,3S)-2-ethenyl-3-ethylhept-1-enyl]-1,1,1-trifluorohexan-2-imine
CID 121405211
2-Methyl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 142966293
2-Propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 145484033
5-Fluoro-2-propan-2-yl-3,4-dihydropyridine
CID 145484234
4,5-dimethyl-3-(trifluoromethyl)-4H-pyridine
CID 146227635
2-cyclopropyl-4-(trifluoromethyl)-3H-pyrrole
CID 148554571
3-Fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine
CID 154991486
(3R)-5-fluoro-2,3-dimethyl-3,4-dihydropyridine
CID 155135101
2-(Difluoromethyl)-5-methyl-3,4-dihydropyridine
CID 156046916
2-Ethyl-5-fluoro-4-methyl-3,4-dihydropyridine
CID 156207077

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine?
The IUPAC name of 2,4-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine (CID 148775053) is 2,4-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for 2,4-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for 2,4-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine is CC1=NC=C(C(F)(F)F)C(C)C1.
What is the InChIKey of 2,4-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine?
The InChIKey is OJEKEKPUYYCVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-5-3-6(2)12-4-7(5)8(9,10)11/h4-5H,3H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine?
2,4-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine has a molecular weight of 177.17 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 148775053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).