4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine

C13H17F3N2 — CID 130437349

IUPAC4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine
SMILESCC(C)c1ccnc(N2CCC(C(F)(F)F)C2)c1
InChIInChI=1S/C13H17F3N2/c1-9(2)10-3-5-17-12(7-10)18-6-4-11(8-18)13(14,15)16/h3,5,7,9,11H,4,6,8H2,1-2H3
InChIKeyVPJULKGVDVYNJK-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.59
Rot. Bonds2

About 4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine

4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine (PubChem CID 130437349) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine
PubChem CID130437349
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine
SMILESCC(C)c1ccnc(N2CCC(C(F)(F)F)C2)c1
InChIInChI=1S/C13H17F3N2/c1-9(2)10-3-5-17-12(7-10)18-6-4-11(8-18)13(14,15)16/h3,5,7,9,11H,4,6,8H2,1-2H3
InChIKeyVPJULKGVDVYNJK-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine?
The IUPAC name of 4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine (CID 130437349) is 4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine?
The canonical SMILES for 4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine is CC(C)c1ccnc(N2CCC(C(F)(F)F)C2)c1.
What is the InChIKey of 4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine?
The InChIKey is VPJULKGVDVYNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-9(2)10-3-5-17-12(7-10)18-6-4-11(8-18)13(14,15)16/h3,5,7,9,11H,4,6,8H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine?
4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine has a molecular weight of 258.29 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 130437349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).