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

C8H10F3N — CID 123682826

IUPAC4,5-dimethyl-2-(trifluoromethyl)-2,5-dihydropyridine
SMILESCC1=CC(C(F)(F)F)N=CC1C
InChIInChI=1S/C8H10F3N/c1-5-3-7(8(9,10)11)12-4-6(5)2/h3-4,6-7H,1-2H3
InChIKeyCBNRZZAMCDRWHY-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.58
Rot. Bonds

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

4,5-dimethyl-2-(trifluoromethyl)-2,5-dihydropyridine (PubChem CID 123682826) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 4,5-dimethyl-2-(trifluoromethyl)-2,5-dihydropyridine.

Molecular Properties

Compound Name4,5-dimethyl-2-(trifluoromethyl)-2,5-dihydropyridine
PubChem CID123682826
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name4,5-dimethyl-2-(trifluoromethyl)-2,5-dihydropyridine
SMILESCC1=CC(C(F)(F)F)N=CC1C
InChIInChI=1S/C8H10F3N/c1-5-3-7(8(9,10)11)12-4-6(5)2/h3-4,6-7H,1-2H3
InChIKeyCBNRZZAMCDRWHY-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[3-Methyl-2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]methanamine
CID 68262335
1-cyclohexa-2,4-dien-1-yl-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine
CID 71070191
5-Propan-2-yl-2-(trifluoromethyl)-2,5-dihydropyridine
CID 90841668
5-Methyl-2-(trifluoromethyl)-2,5-dihydropyridine
CID 90934958
2,5-Dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 123496912
(6E)-2-methyl-7-(trifluoromethyl)-2,5-dihydroazocine
CID 137467897
4-Methyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 142076330
5-Propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine
CID 142093065
5-Ethyl-2-(trifluoromethyl)-2,3-dihydropyridine
CID 143207610
2-Methyl-5-(trifluoromethyl)-2,3-dihydropyridine
CID 154523717
2-Propan-2-yl-5-(trifluoromethyl)-2,3-dihydropyridine
CID 162556316
(Z)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)but-2-en-1-imine
CID 163758951

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(trifluoromethyl)-2,5-dihydropyridine?
The IUPAC name of 4,5-dimethyl-2-(trifluoromethyl)-2,5-dihydropyridine (CID 123682826) is 4,5-dimethyl-2-(trifluoromethyl)-2,5-dihydropyridine.
What is the SMILES notation for 4,5-dimethyl-2-(trifluoromethyl)-2,5-dihydropyridine?
The canonical SMILES for 4,5-dimethyl-2-(trifluoromethyl)-2,5-dihydropyridine is CC1=CC(C(F)(F)F)N=CC1C.
What is the InChIKey of 4,5-dimethyl-2-(trifluoromethyl)-2,5-dihydropyridine?
The InChIKey is CBNRZZAMCDRWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-5-3-7(8(9,10)11)12-4-6(5)2/h3-4,6-7H,1-2H3.
What are the key properties of 4,5-dimethyl-2-(trifluoromethyl)-2,5-dihydropyridine?
4,5-dimethyl-2-(trifluoromethyl)-2,5-dihydropyridine has a molecular weight of 177.17 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(trifluoromethyl)-2,5-dihydropyridine is sourced from PubChem (CID 123682826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).