N-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridin-2-amine

C11H15F3N2O — CID 115498610

IUPACN-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridin-2-amine
SMILESCC(C)(C)Nc1cccc(OCC(F)(F)F)n1
InChIInChI=1S/C11H15F3N2O/c1-10(2,3)16-8-5-4-6-9(15-8)17-7-11(12,13)14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyVZGPYGOXEPZPNM-UHFFFAOYSA-N
MW248.25 g/mol
LogP3.23
Rot. Bonds3

About N-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridin-2-amine

N-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridin-2-amine (PubChem CID 115498610) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is N-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridin-2-amine
PubChem CID115498610
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC NameN-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridin-2-amine
SMILESCC(C)(C)Nc1cccc(OCC(F)(F)F)n1
InChIInChI=1S/C11H15F3N2O/c1-10(2,3)16-8-5-4-6-9(15-8)17-7-11(12,13)14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyVZGPYGOXEPZPNM-UHFFFAOYSA-N
XLogP3.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62291181
6-butoxy-N-tert-butylpyridin-2-amine
CID 115498673
2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine
CID 154265042
2-chloro-6-(2,2,2-trifluoroethoxy)pyridine
CID 12760119
N-tert-butyl-6-(4-ethoxyphenoxy)pyridin-2-amine
CID 115498695
2-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propane-2-sulfinamide
CID 67509270
2-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridine
CID 62238846
2-phenyl-6-(2,2,2-trifluoroethoxy)pyridine
CID 135043638
6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 55259536
N-methyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine
CID 82794972
N-tert-butyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridin-2-amine
CID 115498631
ethane;N-methyl-6-(2,2,2-trifluoroethoxy)pyridazin-3-amine
CID 167506839

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridin-2-amine?
The IUPAC name of N-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridin-2-amine (CID 115498610) is N-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridin-2-amine.
What is the SMILES notation for N-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridin-2-amine?
The canonical SMILES for N-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridin-2-amine is CC(C)(C)Nc1cccc(OCC(F)(F)F)n1.
What is the InChIKey of N-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridin-2-amine?
The InChIKey is VZGPYGOXEPZPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-10(2,3)16-8-5-4-6-9(15-8)17-7-11(12,13)14/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of N-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridin-2-amine?
N-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridin-2-amine has a molecular weight of 248.25 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridin-2-amine is sourced from PubChem (CID 115498610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).