2-[1,1,1-trifluoro-3-methyl-2-(2,2,2-trifluoroethoxy)butan-2-yl]pyridine

Name: 2-[1,1,1-trifluoro-3-methyl-2-(2,2,2-trifluoroethoxy)butan-2-yl]pyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₃F₆NO — CID 146396976

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[1,1,1-trifluoro-3-methyl-2-(2,2,2-trifluoroethoxy)butan-2-yl]pyridine

SMILESCC(C)C(OCC(F)(F)F)(c1ccccn1)C(F)(F)F

InChIInChI=1S/C12H13F6NO/c1-8(2)11(12(16,17)18,20-7-10(13,14)15)9-5-3-4-6-19-9/h3-6,8H,7H2,1-2H3

InChIKeyVYMAKAGLTHFPIE-UHFFFAOYSA-N

MW301.23 g/mol

LogP4.07

Rot. Bonds4

About 2-[1,1,1-trifluoro-3-methyl-2-(2,2,2-trifluoroethoxy)butan-2-yl]pyridine

2-[1,1,1-trifluoro-3-methyl-2-(2,2,2-trifluoroethoxy)butan-2-yl]pyridine (PubChem CID 146396976) has the molecular formula C₁₂H₁₃F₆NO and a molecular weight of 301.23 g/mol. Its IUPAC name is 2-[1,1,1-trifluoro-3-methyl-2-(2,2,2-trifluoroethoxy)butan-2-yl]pyridine.

Molecular Properties

Compound Name	2-[1,1,1-trifluoro-3-methyl-2-(2,2,2-trifluoroethoxy)butan-2-yl]pyridine
PubChem CID	146396976
Molecular Formula	C₁₂H₁₃F₆NO
Molecular Weight	301.23 g/mol
Exact Mass	301.09
IUPAC Name	2-[1,1,1-trifluoro-3-methyl-2-(2,2,2-trifluoroethoxy)butan-2-yl]pyridine
SMILES	CC(C)C(OCC(F)(F)F)(c1ccccn1)C(F)(F)F
InChI	InChI=1S/C12H13F6NO/c1-8(2)11(12(16,17)18,20-7-10(13,14)15)9-5-3-4-6-19-9/h3-6,8H,7H2,1-2H3
InChIKey	VYMAKAGLTHFPIE-UHFFFAOYSA-N
XLogP	4.07
TPSA	22.12 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.23
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[1,1,1-trifluoro-3-methyl-2-(2,2,2-trifluoroethoxy)butan-2-yl]pyridine?

The IUPAC name of 2-[1,1,1-trifluoro-3-methyl-2-(2,2,2-trifluoroethoxy)butan-2-yl]pyridine (CID 146396976) is 2-[1,1,1-trifluoro-3-methyl-2-(2,2,2-trifluoroethoxy)butan-2-yl]pyridine.

What is the SMILES notation for 2-[1,1,1-trifluoro-3-methyl-2-(2,2,2-trifluoroethoxy)butan-2-yl]pyridine?

The canonical SMILES for 2-[1,1,1-trifluoro-3-methyl-2-(2,2,2-trifluoroethoxy)butan-2-yl]pyridine is CC(C)C(OCC(F)(F)F)(c1ccccn1)C(F)(F)F.

What is the InChIKey of 2-[1,1,1-trifluoro-3-methyl-2-(2,2,2-trifluoroethoxy)butan-2-yl]pyridine?

The InChIKey is VYMAKAGLTHFPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F6NO/c1-8(2)11(12(16,17)18,20-7-10(13,14)15)9-5-3-4-6-19-9/h3-6,8H,7H2,1-2H3.

What are the key properties of 2-[1,1,1-trifluoro-3-methyl-2-(2,2,2-trifluoroethoxy)butan-2-yl]pyridine?

2-[1,1,1-trifluoro-3-methyl-2-(2,2,2-trifluoroethoxy)butan-2-yl]pyridine has a molecular weight of 301.23 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1,1,1-trifluoro-3-methyl-2-(2,2,2-trifluoroethoxy)butan-2-yl]pyridine is sourced from PubChem (CID 146396976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 146396976 — identifiers, structure, computed properties (public domain)

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