2-(3-methylpentan-2-yl)-5-(2,2,2-trifluoroethoxy)pyridine

C13H18F3NO — CID 91558909

IUPAC2-(3-methylpentan-2-yl)-5-(2,2,2-trifluoroethoxy)pyridine
SMILESCCC(C)C(C)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C13H18F3NO/c1-4-9(2)10(3)12-6-5-11(7-17-12)18-8-13(14,15)16/h5-7,9-10H,4,8H2,1-3H3
InChIKeyFWOSJHASVHJRAU-UHFFFAOYSA-N
MW261.29 g/mol
LogP4.17
Rot. Bonds5

About 2-(3-methylpentan-2-yl)-5-(2,2,2-trifluoroethoxy)pyridine

2-(3-methylpentan-2-yl)-5-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 91558909) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-(3-methylpentan-2-yl)-5-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name2-(3-methylpentan-2-yl)-5-(2,2,2-trifluoroethoxy)pyridine
PubChem CID91558909
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-(3-methylpentan-2-yl)-5-(2,2,2-trifluoroethoxy)pyridine
SMILESCCC(C)C(C)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C13H18F3NO/c1-4-9(2)10(3)12-6-5-11(7-17-12)18-8-13(14,15)16/h5-7,9-10H,4,8H2,1-3H3
InChIKeyFWOSJHASVHJRAU-UHFFFAOYSA-N
XLogP4.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-2-yl)-5-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 2-(3-methylpentan-2-yl)-5-(2,2,2-trifluoroethoxy)pyridine (CID 91558909) is 2-(3-methylpentan-2-yl)-5-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 2-(3-methylpentan-2-yl)-5-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 2-(3-methylpentan-2-yl)-5-(2,2,2-trifluoroethoxy)pyridine is CCC(C)C(C)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of 2-(3-methylpentan-2-yl)-5-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is FWOSJHASVHJRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-4-9(2)10(3)12-6-5-11(7-17-12)18-8-13(14,15)16/h5-7,9-10H,4,8H2,1-3H3.
What are the key properties of 2-(3-methylpentan-2-yl)-5-(2,2,2-trifluoroethoxy)pyridine?
2-(3-methylpentan-2-yl)-5-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 261.29 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-2-yl)-5-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 91558909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).