2-(5-fluoro-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine

C16H14F4N2 — CID 46200904

IUPAC2-(5-fluoro-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine
SMILESFc1ccc(C2CCCN2)c(-c2ncccc2C(F)(F)F)c1
InChIInChI=1S/C16H14F4N2/c17-10-5-6-11(14-4-2-7-21-14)12(9-10)15-13(16(18,19)20)3-1-8-22-15/h1,3,5-6,8-9,14,21H,2,4,7H2
InChIKeyUMZLULYBVYDTDX-UHFFFAOYSA-N
MW310.29 g/mol
LogP4.33
Rot. Bonds2

About 2-(5-fluoro-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine

2-(5-fluoro-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine (PubChem CID 46200904) has the molecular formula C16H14F4N2 and a molecular weight of 310.29 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(5-fluoro-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine
PubChem CID46200904
Molecular FormulaC16H14F4N2
Molecular Weight310.29 g/mol
Exact Mass310.11
IUPAC Name2-(5-fluoro-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine
SMILESFc1ccc(C2CCCN2)c(-c2ncccc2C(F)(F)F)c1
InChIInChI=1S/C16H14F4N2/c17-10-5-6-11(14-4-2-7-21-14)12(9-10)15-13(16(18,19)20)3-1-8-22-15/h1,3,5-6,8-9,14,21H,2,4,7H2
InChIKeyUMZLULYBVYDTDX-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(5-fluoro-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine (CID 46200904) is 2-(5-fluoro-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(5-fluoro-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(5-fluoro-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine is Fc1ccc(C2CCCN2)c(-c2ncccc2C(F)(F)F)c1.
What is the InChIKey of 2-(5-fluoro-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine?
The InChIKey is UMZLULYBVYDTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2/c17-10-5-6-11(14-4-2-7-21-14)12(9-10)15-13(16(18,19)20)3-1-8-22-15/h1,3,5-6,8-9,14,21H,2,4,7H2.
What are the key properties of 2-(5-fluoro-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine?
2-(5-fluoro-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine has a molecular weight of 310.29 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 46200904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).