5,6-dimethyl-3-(trifluoromethyl)-1,2-dihydropyridine

C8H10F3N — CID 162554042

IUPAC5,6-dimethyl-3-(trifluoromethyl)-1,2-dihydropyridine
SMILESCC1=C(C)NCC(C(F)(F)F)=C1
InChIInChI=1S/C8H10F3N/c1-5-3-7(8(9,10)11)4-12-6(5)2/h3,12H,4H2,1-2H3
InChIKeyAPWDMIUNBNNARD-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.37
Rot. Bonds

About 5,6-dimethyl-3-(trifluoromethyl)-1,2-dihydropyridine

5,6-dimethyl-3-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 162554042) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 5,6-dimethyl-3-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name5,6-dimethyl-3-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID162554042
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name5,6-dimethyl-3-(trifluoromethyl)-1,2-dihydropyridine
SMILESCC1=C(C)NCC(C(F)(F)F)=C1
InChIInChI=1S/C8H10F3N/c1-5-3-7(8(9,10)11)4-12-6(5)2/h3,12H,4H2,1-2H3
InChIKeyAPWDMIUNBNNARD-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 5,6-dimethyl-3-(trifluoromethyl)-1,2-dihydropyridine (CID 162554042) is 5,6-dimethyl-3-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 5,6-dimethyl-3-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 5,6-dimethyl-3-(trifluoromethyl)-1,2-dihydropyridine is CC1=C(C)NCC(C(F)(F)F)=C1.
What is the InChIKey of 5,6-dimethyl-3-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is APWDMIUNBNNARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-5-3-7(8(9,10)11)4-12-6(5)2/h3,12H,4H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-(trifluoromethyl)-1,2-dihydropyridine?
5,6-dimethyl-3-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 177.17 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 162554042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).