1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine

C9H11F3N2O — CID 58629100

IUPAC1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine
SMILESCC(N)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C9H11F3N2O/c1-6(13)7-2-3-8(14-4-7)15-5-9(10,11)12/h2-4,6H,5,13H2,1H3
InChIKeyDBVQWDRJFZMDDL-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.04
Rot. Bonds3

About 1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine

1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine (PubChem CID 58629100) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine
PubChem CID58629100
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine
SMILESCC(N)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C9H11F3N2O/c1-6(13)7-2-3-8(14-4-7)15-5-9(10,11)12/h2-4,6H,5,13H2,1H3
InChIKeyDBVQWDRJFZMDDL-UHFFFAOYSA-N
XLogP2.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate
CID 175381143
3-bromo-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-1,2-diol
CID 171860909
3-[(1S)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-indol-2-amine
CID 159612419
(1S)-1-[6-(2-cyclobutylethoxy)-3-pyridinyl]ethanamine
CID 106202300
2-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrimidine-4-carboxamide
CID 141332123
S-[3,4-dihydroxy-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butyl] ethanethioate
CID 171876811
N-[2-[[5-[(1R)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102740288
4-chloro-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butane-1,2-diol
CID 171894727
N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 75303570
6-(2,2,2-trifluoroethoxy)pyridine-3-thiol
CID 123782720
3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine
CID 112693379
[3-hydroxy-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propyl] methanesulfonate
CID 123916869

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine?
The IUPAC name of 1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine (CID 58629100) is 1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine.
What is the SMILES notation for 1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine?
The canonical SMILES for 1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine is CC(N)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine?
The InChIKey is DBVQWDRJFZMDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-6(13)7-2-3-8(14-4-7)15-5-9(10,11)12/h2-4,6H,5,13H2,1H3.
What are the key properties of 1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine?
1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine has a molecular weight of 220.19 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine is sourced from PubChem (CID 58629100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).