2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine

C12H16F3NO — CID 20709426

IUPAC2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine
SMILESCC(C)(C)c1cccc(COCC(F)(F)F)n1
InChIInChI=1S/C12H16F3NO/c1-11(2,3)10-6-4-5-9(16-10)7-17-8-12(13,14)15/h4-6H,7-8H2,1-3H3
InChIKeyAZEPEZWDDHSFIV-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.46
Rot. Bonds3

About 2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine

2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine (PubChem CID 20709426) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine
PubChem CID20709426
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine
SMILESCC(C)(C)c1cccc(COCC(F)(F)F)n1
InChIInChI=1S/C12H16F3NO/c1-11(2,3)10-6-4-5-9(16-10)7-17-8-12(13,14)15/h4-6H,7-8H2,1-3H3
InChIKeyAZEPEZWDDHSFIV-UHFFFAOYSA-N
XLogP3.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)pyridine
CID 20709403
6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid
CID 106903249
2-methyl-N-[[6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907602
4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
CID 104932543
methyl 2-(6-tert-butyl-2-pyridinyl)acetate
CID 176631988
N-propyl-6-(3,3,3-trifluoropropoxymethyl)pyridin-2-amine
CID 82957468
6-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
CID 103476187
3-(6-tert-butyl-2-pyridinyl)propane-1,2-diol
CID 20709436
3-(ethoxymethyl)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide
CID 154846592
2-butyl-6-(trifluoromethyl)pyridine
CID 126570654
2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid
CID 171538306
(2S)-1,1,1-trifluoro-2-[6-(hydroxymethyl)-2-pyridinyl]propan-2-ol
CID 153457012

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine?
The IUPAC name of 2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine (CID 20709426) is 2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine.
What is the SMILES notation for 2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine?
The canonical SMILES for 2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine is CC(C)(C)c1cccc(COCC(F)(F)F)n1.
What is the InChIKey of 2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine?
The InChIKey is AZEPEZWDDHSFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-11(2,3)10-6-4-5-9(16-10)7-17-8-12(13,14)15/h4-6H,7-8H2,1-3H3.
What are the key properties of 2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine?
2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine has a molecular weight of 247.26 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine is sourced from PubChem (CID 20709426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).