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

C8H10F3N — CID 123496912

IUPAC2,5-dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1=CC(C(F)(F)F)C(C)N=C1
InChIInChI=1S/C8H10F3N/c1-5-3-7(8(9,10)11)6(2)12-4-5/h3-4,6-7H,1-2H3
InChIKeyPXNOBXNCDJJGPE-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.58
Rot. Bonds

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

2,5-dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 123496912) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 2,5-dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2,5-dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID123496912
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name2,5-dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1=CC(C(F)(F)F)C(C)N=C1
InChIInChI=1S/C8H10F3N/c1-5-3-7(8(9,10)11)6(2)12-4-5/h3-4,6-7H,1-2H3
InChIKeyPXNOBXNCDJJGPE-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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 2,5-dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine (CID 123496912) is 2,5-dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 2,5-dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 2,5-dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine is CC1=CC(C(F)(F)F)C(C)N=C1.
What is the InChIKey of 2,5-dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is PXNOBXNCDJJGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-5-3-7(8(9,10)11)6(2)12-4-5/h3-4,6-7H,1-2H3.
What are the key properties of 2,5-dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine?
2,5-dimethyl-3-(trifluoromethyl)-2,3-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 2,5-dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 123496912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).