2,3-Dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine

C8H10F3N — CID 166924929

IUPAC2,3-dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1C=C(C=NC1C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-5-3-7(8(9,10)11)4-12-6(5)2/h3-6H,1-2H3
InChIKeyUZZPVMQWPMNOKL-UHFFFAOYSA-N
MW177.17 g/mol
LogP1.80
Rot. Bonds

About 2,3-Dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine

2,3-Dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 166924929) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 2,3-dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2,3-Dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID166924929
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name2,3-dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1C=C(C=NC1C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-5-3-7(8(9,10)11)4-12-6(5)2/h3-6H,1-2H3
InChIKeyUZZPVMQWPMNOKL-UHFFFAOYSA-N
XLogP1.80
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity227

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-Dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 2,3-Dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine (CID 166924929) is 2,3-dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 2,3-Dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 2,3-Dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine is CC1C=C(C=NC1C)C(F)(F)F.
What is the InChIKey of 2,3-Dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is UZZPVMQWPMNOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-5-3-7(8(9,10)11)4-12-6(5)2/h3-6H,1-2H3.
What are the key properties of 2,3-Dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine?
2,3-Dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 177.17 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-Dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 166924929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).