1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine

C9H11F3N2O — CID 103214655

IUPAC1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)c1cccnc1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)6-15-5-8(13)7-2-1-3-14-4-7/h1-4,8H,5-6,13H2
InChIKeyQIBNSHSZOPLTPJ-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.66
Rot. Bonds4

About 1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine

1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103214655) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103214655
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)c1cccnc1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)6-15-5-8(13)7-2-1-3-14-4-7/h1-4,8H,5-6,13H2
InChIKeyQIBNSHSZOPLTPJ-UHFFFAOYSA-N
XLogP1.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine
CID 103689442
pyridin-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 70392473
(1R)-3-fluoro-1-pyridin-3-ylpropan-1-amine;hydrochloride
CID 171201508
pyridin-3-yl-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 70393208
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848
2-amino-2-pyridin-3-ylethanol
CID 2734590
1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214712
2-cyclopentyloxy-1-pyridin-3-ylethanamine
CID 141329792
1-naphthalen-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16780890
1-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214758
(1R)-2,2,3,3,3-pentafluoro-1-pyridin-3-ylpropan-1-amine
CID 131371192

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103214655) is 1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine is NC(COCC(F)(F)F)c1cccnc1.
What is the InChIKey of 1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is QIBNSHSZOPLTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)6-15-5-8(13)7-2-1-3-14-4-7/h1-4,8H,5-6,13H2.
What are the key properties of 1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 220.19 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103214655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).