2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine

C8H9F3N2O — CID 62347988

IUPAC2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine
SMILESNCCOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)6-2-1-3-7(13-6)14-5-4-12/h1-3H,4-5,12H2
InChIKeyBCSCHHVCCKWZJP-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.44
Rot. Bonds3

About 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine

2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine (PubChem CID 62347988) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine
PubChem CID62347988
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine
SMILESNCCOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)6-2-1-3-7(13-6)14-5-4-12/h1-3H,4-5,12H2
InChIKeyBCSCHHVCCKWZJP-UHFFFAOYSA-N
XLogP1.44
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine?
The IUPAC name of 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine (CID 62347988) is 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine.
What is the SMILES notation for 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine?
The canonical SMILES for 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine is NCCOc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine?
The InChIKey is BCSCHHVCCKWZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)6-2-1-3-7(13-6)14-5-4-12/h1-3H,4-5,12H2.
What are the key properties of 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine?
2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine has a molecular weight of 206.17 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine is sourced from PubChem (CID 62347988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).