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

C9H11F4NO2 — CID 103475097

IUPAC1-(furan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESNC(COCC(F)(F)C(F)F)c1ccoc1
InChIInChI=1S/C9H11F4NO2/c10-8(11)9(12,13)5-16-4-7(14)6-1-2-15-3-6/h1-3,7-8H,4-5,14H2
InChIKeyREUDBXJKFPMARR-UHFFFAOYSA-N
MW241.18 g/mol
LogP2.20
Rot. Bonds6

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

1-(furan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103475097) has the molecular formula C9H11F4NO2 and a molecular weight of 241.18 g/mol. Its IUPAC name is 1-(furan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103475097
Molecular FormulaC9H11F4NO2
Molecular Weight241.18 g/mol
Exact Mass241.07
IUPAC Name1-(furan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESNC(COCC(F)(F)C(F)F)c1ccoc1
InChIInChI=1S/C9H11F4NO2/c10-8(11)9(12,13)5-16-4-7(14)6-1-2-15-3-6/h1-3,7-8H,4-5,14H2
InChIKeyREUDBXJKFPMARR-UHFFFAOYSA-N
XLogP2.20
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.18
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-(furan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(furan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103475097) is 1-(furan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(furan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(furan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is NC(COCC(F)(F)C(F)F)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is REUDBXJKFPMARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4NO2/c10-8(11)9(12,13)5-16-4-7(14)6-1-2-15-3-6/h1-3,7-8H,4-5,14H2.
What are the key properties of 1-(furan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(furan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 241.18 g/mol, XLogP of 2.20, 6 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-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103475097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).