6-pyrrolidin-1-yl-2-(trifluoromethyl)-1,2-dihydropyridine

C10H13F3N2 — CID 90315439

IUPAC6-pyrrolidin-1-yl-2-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1C=CC=C(N2CCCC2)N1
InChIInChI=1S/C10H13F3N2/c11-10(12,13)8-4-3-5-9(14-8)15-6-1-2-7-15/h3-5,8,14H,1-2,6-7H2
InChIKeyIJPQAMKUFDWALB-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.01
Rot. Bonds1

About 6-pyrrolidin-1-yl-2-(trifluoromethyl)-1,2-dihydropyridine

6-pyrrolidin-1-yl-2-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 90315439) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-2-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-2-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID90315439
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name6-pyrrolidin-1-yl-2-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1C=CC=C(N2CCCC2)N1
InChIInChI=1S/C10H13F3N2/c11-10(12,13)8-4-3-5-9(14-8)15-6-1-2-7-15/h3-5,8,14H,1-2,6-7H2
InChIKeyIJPQAMKUFDWALB-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-yl-2-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 6-pyrrolidin-1-yl-2-(trifluoromethyl)-1,2-dihydropyridine (CID 90315439) is 6-pyrrolidin-1-yl-2-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 6-pyrrolidin-1-yl-2-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 6-pyrrolidin-1-yl-2-(trifluoromethyl)-1,2-dihydropyridine is FC(F)(F)C1C=CC=C(N2CCCC2)N1.
What is the InChIKey of 6-pyrrolidin-1-yl-2-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is IJPQAMKUFDWALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c11-10(12,13)8-4-3-5-9(14-8)15-6-1-2-7-15/h3-5,8,14H,1-2,6-7H2.
What are the key properties of 6-pyrrolidin-1-yl-2-(trifluoromethyl)-1,2-dihydropyridine?
6-pyrrolidin-1-yl-2-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 218.22 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-2-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 90315439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).