2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine

C16H16F3N — CID 58432818

IUPAC2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cccc(-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C16H16F3N/c1-15(2,3)12-6-4-5-11(9-12)14-8-7-13(10-20-14)16(17,18)19/h4-10H,1-3H3
InChIKeyAKDXDOVXIUCHTH-UHFFFAOYSA-N
MW279.31 g/mol
LogP5.06
Rot. Bonds1

About 2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine

2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine (PubChem CID 58432818) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine
PubChem CID58432818
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cccc(-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C16H16F3N/c1-15(2,3)12-6-4-5-11(9-12)14-8-7-13(10-20-14)16(17,18)19/h4-10H,1-3H3
InChIKeyAKDXDOVXIUCHTH-UHFFFAOYSA-N
XLogP5.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.31
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine (CID 58432818) is 2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine is CC(C)(C)c1cccc(-c2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of 2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine?
The InChIKey is AKDXDOVXIUCHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-15(2,3)12-6-4-5-11(9-12)14-8-7-13(10-20-14)16(17,18)19/h4-10H,1-3H3.
What are the key properties of 2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine?
2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine has a molecular weight of 279.31 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 58432818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).