2,6-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine

C8H10F3N — CID 145086520

IUPAC2,6-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1=NC(C)=C(C(F)(F)F)CC1
InChIInChI=1S/C8H10F3N/c1-5-3-4-7(6(2)12-5)8(9,10)11/h3-4H2,1-2H3
InChIKeyKVFBOZCPZYLMHL-UHFFFAOYSA-N
MW177.17 g/mol
LogP3.08
Rot. Bonds

About 2,6-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine

2,6-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine (PubChem CID 145086520) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 2,6-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2,6-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine
PubChem CID145086520
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name2,6-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1=NC(C)=C(C(F)(F)F)CC1
InChIInChI=1S/C8H10F3N/c1-5-3-4-7(6(2)12-5)8(9,10)11/h3-4H2,1-2H3
InChIKeyKVFBOZCPZYLMHL-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine?
The IUPAC name of 2,6-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine (CID 145086520) is 2,6-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for 2,6-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for 2,6-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine is CC1=NC(C)=C(C(F)(F)F)CC1.
What is the InChIKey of 2,6-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine?
The InChIKey is KVFBOZCPZYLMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-5-3-4-7(6(2)12-5)8(9,10)11/h3-4H2,1-2H3.
What are the key properties of 2,6-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine?
2,6-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine has a molecular weight of 177.17 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 145086520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).