5-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine

C17H18F3NO — CID 59637200

IUPAC5-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine
SMILESCC(C)Cc1ccc(-c2ccccc2OCC(F)(F)F)nc1
InChIInChI=1S/C17H18F3NO/c1-12(2)9-13-7-8-15(21-10-13)14-5-3-4-6-16(14)22-11-17(18,19)20/h3-8,10,12H,9,11H2,1-2H3
InChIKeyHPUFDGWGWDPSNP-UHFFFAOYSA-N
MW309.33 g/mol
LogP4.89
Rot. Bonds5

About 5-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine

5-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine (PubChem CID 59637200) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine
PubChem CID59637200
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name5-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine
SMILESCC(C)Cc1ccc(-c2ccccc2OCC(F)(F)F)nc1
InChIInChI=1S/C17H18F3NO/c1-12(2)9-13-7-8-15(21-10-13)14-5-3-4-6-16(14)22-11-17(18,19)20/h3-8,10,12H,9,11H2,1-2H3
InChIKeyHPUFDGWGWDPSNP-UHFFFAOYSA-N
XLogP4.89
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine?
The IUPAC name of 5-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine (CID 59637200) is 5-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine.
What is the SMILES notation for 5-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine?
The canonical SMILES for 5-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine is CC(C)Cc1ccc(-c2ccccc2OCC(F)(F)F)nc1.
What is the InChIKey of 5-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine?
The InChIKey is HPUFDGWGWDPSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO/c1-12(2)9-13-7-8-15(21-10-13)14-5-3-4-6-16(14)22-11-17(18,19)20/h3-8,10,12H,9,11H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine?
5-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine has a molecular weight of 309.33 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine is sourced from PubChem (CID 59637200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).