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

C11H16F3N — CID 118476293

IUPAC(2R)-5-[(2R)-pentan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine
SMILESCCC[C@@H](C)C1=CC[C@H](C(F)(F)F)N=C1
InChIInChI=1S/C11H16F3N/c1-3-4-8(2)9-5-6-10(15-7-9)11(12,13)14/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m1/s1
InChIKeyXEJDESLRAXVEEV-PSASIEDQSA-N
MW219.25 g/mol
LogP3.75
Rot. Bonds3

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

(2R)-5-[(2R)-pentan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 118476293) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is (2R)-5-[(2R)-pentan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name(2R)-5-[(2R)-pentan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID118476293
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name(2R)-5-[(2R)-pentan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine
SMILESCCC[C@@H](C)C1=CC[C@H](C(F)(F)F)N=C1
InChIInChI=1S/C11H16F3N/c1-3-4-8(2)9-5-6-10(15-7-9)11(12,13)14/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m1/s1
InChIKeyXEJDESLRAXVEEV-PSASIEDQSA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-[(2R)-pentan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of (2R)-5-[(2R)-pentan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine (CID 118476293) is (2R)-5-[(2R)-pentan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for (2R)-5-[(2R)-pentan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for (2R)-5-[(2R)-pentan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine is CCC[C@@H](C)C1=CC[C@H](C(F)(F)F)N=C1.
What is the InChIKey of (2R)-5-[(2R)-pentan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is XEJDESLRAXVEEV-PSASIEDQSA-N. The full InChI is InChI=1S/C11H16F3N/c1-3-4-8(2)9-5-6-10(15-7-9)11(12,13)14/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m1/s1.
What are the key properties of (2R)-5-[(2R)-pentan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine?
(2R)-5-[(2R)-pentan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 219.25 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[(2R)-pentan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 118476293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).