2-butyl-4-phenyl-3-propyl-6-(trifluoromethyl)pyridine

C19H22F3N — CID 10903333

IUPAC2-butyl-4-phenyl-3-propyl-6-(trifluoromethyl)pyridine
SMILESCCCCc1nc(C(F)(F)F)cc(-c2ccccc2)c1CCC
InChIInChI=1S/C19H22F3N/c1-3-5-12-17-15(9-4-2)16(14-10-7-6-8-11-14)13-18(23-17)19(20,21)22/h6-8,10-11,13H,3-5,9,12H2,1-2H3
InChIKeyRUAUHPKOKBMBSK-UHFFFAOYSA-N
MW321.39 g/mol
LogP6.06
Rot. Bonds6

About 2-butyl-4-phenyl-3-propyl-6-(trifluoromethyl)pyridine

2-butyl-4-phenyl-3-propyl-6-(trifluoromethyl)pyridine (PubChem CID 10903333) has the molecular formula C19H22F3N and a molecular weight of 321.39 g/mol. Its IUPAC name is 2-butyl-4-phenyl-3-propyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-butyl-4-phenyl-3-propyl-6-(trifluoromethyl)pyridine
PubChem CID10903333
Molecular FormulaC19H22F3N
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name2-butyl-4-phenyl-3-propyl-6-(trifluoromethyl)pyridine
SMILESCCCCc1nc(C(F)(F)F)cc(-c2ccccc2)c1CCC
InChIInChI=1S/C19H22F3N/c1-3-5-12-17-15(9-4-2)16(14-10-7-6-8-11-14)13-18(23-17)19(20,21)22/h6-8,10-11,13H,3-5,9,12H2,1-2H3
InChIKeyRUAUHPKOKBMBSK-UHFFFAOYSA-N
XLogP6.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.39
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-butyl-4-phenyl-3-propyl-6-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-phenyl-3-propyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-butyl-4-phenyl-3-propyl-6-(trifluoromethyl)pyridine (CID 10903333) is 2-butyl-4-phenyl-3-propyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-butyl-4-phenyl-3-propyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-butyl-4-phenyl-3-propyl-6-(trifluoromethyl)pyridine is CCCCc1nc(C(F)(F)F)cc(-c2ccccc2)c1CCC.
What is the InChIKey of 2-butyl-4-phenyl-3-propyl-6-(trifluoromethyl)pyridine?
The InChIKey is RUAUHPKOKBMBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N/c1-3-5-12-17-15(9-4-2)16(14-10-7-6-8-11-14)13-18(23-17)19(20,21)22/h6-8,10-11,13H,3-5,9,12H2,1-2H3.
What are the key properties of 2-butyl-4-phenyl-3-propyl-6-(trifluoromethyl)pyridine?
2-butyl-4-phenyl-3-propyl-6-(trifluoromethyl)pyridine has a molecular weight of 321.39 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-phenyl-3-propyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 10903333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).