5-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine

C11H16F3N — CID 118476292

IUPAC5-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC(C)[C@@H](C)C1=CCC(C(F)(F)F)N=C1
InChIInChI=1S/C11H16F3N/c1-7(2)8(3)9-4-5-10(15-6-9)11(12,13)14/h4,6-8,10H,5H2,1-3H3/t8-,10?/m1/s1
InChIKeyZVAKWIMIORYBAW-HNHGDDPOSA-N
MW219.25 g/mol
LogP3.61
Rot. Bonds2

About 5-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine

5-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 118476292) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is 5-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name5-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID118476292
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name5-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC(C)[C@@H](C)C1=CCC(C(F)(F)F)N=C1
InChIInChI=1S/C11H16F3N/c1-7(2)8(3)9-4-5-10(15-6-9)11(12,13)14/h4,6-8,10H,5H2,1-3H3/t8-,10?/m1/s1
InChIKeyZVAKWIMIORYBAW-HNHGDDPOSA-N
XLogP3.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 5-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine (CID 118476292) is 5-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 5-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 5-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine is CC(C)[C@@H](C)C1=CCC(C(F)(F)F)N=C1.
What is the InChIKey of 5-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is ZVAKWIMIORYBAW-HNHGDDPOSA-N. The full InChI is InChI=1S/C11H16F3N/c1-7(2)8(3)9-4-5-10(15-6-9)11(12,13)14/h4,6-8,10H,5H2,1-3H3/t8-,10?/m1/s1.
What are the key properties of 5-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine?
5-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 219.25 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 118476292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).