6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine

C11H15F3N2 — CID 135135231

IUPAC6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CCNC(CC2CCNC2)=C1
InChIInChI=1S/C11H15F3N2/c12-11(13,14)9-2-4-16-10(6-9)5-8-1-3-15-7-8/h2,6,8,15-16H,1,3-5,7H2
InChIKeySPQHCXLHZGULNE-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.96
Rot. Bonds2

About 6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine

6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 135135231) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID135135231
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CCNC(CC2CCNC2)=C1
InChIInChI=1S/C11H15F3N2/c12-11(13,14)9-2-4-16-10(6-9)5-8-1-3-15-7-8/h2,6,8,15-16H,1,3-5,7H2
InChIKeySPQHCXLHZGULNE-UHFFFAOYSA-N
XLogP1.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine (CID 135135231) is 6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine is FC(F)(F)C1=CCNC(CC2CCNC2)=C1.
What is the InChIKey of 6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is SPQHCXLHZGULNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c12-11(13,14)9-2-4-16-10(6-9)5-8-1-3-15-7-8/h2,6,8,15-16H,1,3-5,7H2.
What are the key properties of 6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine?
6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 232.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 135135231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).