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

C8H10F3N — CID 70320305

IUPAC3,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1C=NC(C(F)(F)F)=CC1C
InChIInChI=1S/C8H10F3N/c1-5-3-7(8(9,10)11)12-4-6(5)2/h3-6H,1-2H3
InChIKeyMHNRJUFSRIWCAT-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.79
Rot. Bonds

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

3,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine (PubChem CID 70320305) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 3,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name3,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine
PubChem CID70320305
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name3,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1C=NC(C(F)(F)F)=CC1C
InChIInChI=1S/C8H10F3N/c1-5-3-7(8(9,10)11)12-4-6(5)2/h3-6H,1-2H3
InChIKeyMHNRJUFSRIWCAT-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine?
The IUPAC name of 3,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine (CID 70320305) is 3,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for 3,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for 3,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine is CC1C=NC(C(F)(F)F)=CC1C.
What is the InChIKey of 3,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine?
The InChIKey is MHNRJUFSRIWCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-5-3-7(8(9,10)11)12-4-6(5)2/h3-6H,1-2H3.
What are the key properties of 3,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine?
3,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine has a molecular weight of 177.17 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 70320305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).