5-propan-2-yl-2-pyrrolidin-1-yl-3-(trifluoromethyl)pyridine

C13H17F3N2 — CID 170687973

IUPAC5-propan-2-yl-2-pyrrolidin-1-yl-3-(trifluoromethyl)pyridine
SMILESCC(C)c1cnc(N2CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2/c1-9(2)10-7-11(13(14,15)16)12(17-8-10)18-5-3-4-6-18/h7-9H,3-6H2,1-2H3
InChIKeyGWSYUEWKJINVOK-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.82
Rot. Bonds2

About 5-propan-2-yl-2-pyrrolidin-1-yl-3-(trifluoromethyl)pyridine

5-propan-2-yl-2-pyrrolidin-1-yl-3-(trifluoromethyl)pyridine (PubChem CID 170687973) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 5-propan-2-yl-2-pyrrolidin-1-yl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-propan-2-yl-2-pyrrolidin-1-yl-3-(trifluoromethyl)pyridine
PubChem CID170687973
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name5-propan-2-yl-2-pyrrolidin-1-yl-3-(trifluoromethyl)pyridine
SMILESCC(C)c1cnc(N2CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2/c1-9(2)10-7-11(13(14,15)16)12(17-8-10)18-5-3-4-6-18/h7-9H,3-6H2,1-2H3
InChIKeyGWSYUEWKJINVOK-UHFFFAOYSA-N
XLogP3.82
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-pyrrolidin-1-yl-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-propan-2-yl-2-pyrrolidin-1-yl-3-(trifluoromethyl)pyridine (CID 170687973) is 5-propan-2-yl-2-pyrrolidin-1-yl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-propan-2-yl-2-pyrrolidin-1-yl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-propan-2-yl-2-pyrrolidin-1-yl-3-(trifluoromethyl)pyridine is CC(C)c1cnc(N2CCCC2)c(C(F)(F)F)c1.
What is the InChIKey of 5-propan-2-yl-2-pyrrolidin-1-yl-3-(trifluoromethyl)pyridine?
The InChIKey is GWSYUEWKJINVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-9(2)10-7-11(13(14,15)16)12(17-8-10)18-5-3-4-6-18/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-propan-2-yl-2-pyrrolidin-1-yl-3-(trifluoromethyl)pyridine?
5-propan-2-yl-2-pyrrolidin-1-yl-3-(trifluoromethyl)pyridine has a molecular weight of 258.29 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-pyrrolidin-1-yl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 170687973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).