2-(2-ethoxy-1,1,1-trifluorohexan-2-yl)pyridine

C13H18F3NO — CID 146396869

IUPAC2-(2-ethoxy-1,1,1-trifluorohexan-2-yl)pyridine
SMILESCCCCC(OCC)(c1ccccn1)C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-3-5-9-12(18-4-2,13(14,15)16)11-8-6-7-10-17-11/h6-8,10H,3-5,9H2,1-2H3
InChIKeyHYOIMPDWHLHKHW-UHFFFAOYSA-N
MW261.29 g/mol
LogP4.07
Rot. Bonds6

About 2-(2-ethoxy-1,1,1-trifluorohexan-2-yl)pyridine

2-(2-ethoxy-1,1,1-trifluorohexan-2-yl)pyridine (PubChem CID 146396869) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-(2-ethoxy-1,1,1-trifluorohexan-2-yl)pyridine.

Molecular Properties

Compound Name2-(2-ethoxy-1,1,1-trifluorohexan-2-yl)pyridine
PubChem CID146396869
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-(2-ethoxy-1,1,1-trifluorohexan-2-yl)pyridine
SMILESCCCCC(OCC)(c1ccccn1)C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-3-5-9-12(18-4-2,13(14,15)16)11-8-6-7-10-17-11/h6-8,10H,3-5,9H2,1-2H3
InChIKeyHYOIMPDWHLHKHW-UHFFFAOYSA-N
XLogP4.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-1,1,1-trifluorohexan-2-yl)pyridine?
The IUPAC name of 2-(2-ethoxy-1,1,1-trifluorohexan-2-yl)pyridine (CID 146396869) is 2-(2-ethoxy-1,1,1-trifluorohexan-2-yl)pyridine.
What is the SMILES notation for 2-(2-ethoxy-1,1,1-trifluorohexan-2-yl)pyridine?
The canonical SMILES for 2-(2-ethoxy-1,1,1-trifluorohexan-2-yl)pyridine is CCCCC(OCC)(c1ccccn1)C(F)(F)F.
What is the InChIKey of 2-(2-ethoxy-1,1,1-trifluorohexan-2-yl)pyridine?
The InChIKey is HYOIMPDWHLHKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-3-5-9-12(18-4-2,13(14,15)16)11-8-6-7-10-17-11/h6-8,10H,3-5,9H2,1-2H3.
What are the key properties of 2-(2-ethoxy-1,1,1-trifluorohexan-2-yl)pyridine?
2-(2-ethoxy-1,1,1-trifluorohexan-2-yl)pyridine has a molecular weight of 261.29 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-1,1,1-trifluorohexan-2-yl)pyridine is sourced from PubChem (CID 146396869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).