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

C8H10F3NO2 — CID 82710750

IUPAC1-(furan-3-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC(NOCC(F)(F)F)c1ccoc1
InChIInChI=1S/C8H10F3NO2/c1-6(7-2-3-13-4-7)12-14-5-8(9,10)11/h2-4,6,12H,5H2,1H3
InChIKeyMXVOBYSSPCBXKP-UHFFFAOYSA-N
MW209.17 g/mol
LogP2.42
Rot. Bonds4

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

1-(furan-3-yl)-N-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 82710750) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID82710750
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name1-(furan-3-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC(NOCC(F)(F)F)c1ccoc1
InChIInChI=1S/C8H10F3NO2/c1-6(7-2-3-13-4-7)12-14-5-8(9,10)11/h2-4,6,12H,5H2,1H3
InChIKeyMXVOBYSSPCBXKP-UHFFFAOYSA-N
XLogP2.42
TPSA34.40 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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(furan-3-yl)-N-(2,2,2-trifluoroethoxy)ethanamine (CID 82710750) is 1-(furan-3-yl)-N-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(furan-3-yl)-N-(2,2,2-trifluoroethoxy)ethanamine is CC(NOCC(F)(F)F)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is MXVOBYSSPCBXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c1-6(7-2-3-13-4-7)12-14-5-8(9,10)11/h2-4,6,12H,5H2,1H3.
What are the key properties of 1-(furan-3-yl)-N-(2,2,2-trifluoroethoxy)ethanamine?
1-(furan-3-yl)-N-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 209.17 g/mol, XLogP of 2.42, 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)-N-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 82710750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).