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

C8H10F3NO2 — CID 103215260

IUPAC1-(furan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)c1ccoc1
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)5-14-4-7(12)6-1-2-13-3-6/h1-3,7H,4-5,12H2
InChIKeyWDBCEAUHUKFRLS-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.86
Rot. Bonds4

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

1-(furan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215260) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 1-(furan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215260
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name1-(furan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)c1ccoc1
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)5-14-4-7(12)6-1-2-13-3-6/h1-3,7H,4-5,12H2
InChIKeyWDBCEAUHUKFRLS-UHFFFAOYSA-N
XLogP1.86
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(furan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215260) is 1-(furan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(furan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(furan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is NC(COCC(F)(F)F)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is WDBCEAUHUKFRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c9-8(10,11)5-14-4-7(12)6-1-2-13-3-6/h1-3,7H,4-5,12H2.
What are the key properties of 1-(furan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(furan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 209.17 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).