2-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanamine

C10H9F4NO — CID 20669274

IUPAC2-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanamine
SMILESNCCc1ccc2c(c1)C(F)(F)C(F)(F)O2
InChIInChI=1S/C10H9F4NO/c11-9(12)7-5-6(3-4-15)1-2-8(7)16-10(9,13)14/h1-2,5H,3-4,15H2
InChIKeyQICKVSYCKJZAAD-UHFFFAOYSA-N
MW235.18 g/mol
LogP2.26
Rot. Bonds2

About 2-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanamine

2-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanamine (PubChem CID 20669274) has the molecular formula C10H9F4NO and a molecular weight of 235.18 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanamine
PubChem CID20669274
Molecular FormulaC10H9F4NO
Molecular Weight235.18 g/mol
Exact Mass235.06
IUPAC Name2-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanamine
SMILESNCCc1ccc2c(c1)C(F)(F)C(F)(F)O2
InChIInChI=1S/C10H9F4NO/c11-9(12)7-5-6(3-4-15)1-2-8(7)16-10(9,13)14/h1-2,5H,3-4,15H2
InChIKeyQICKVSYCKJZAAD-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanamine?
The IUPAC name of 2-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanamine (CID 20669274) is 2-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanamine.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanamine?
The canonical SMILES for 2-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanamine is NCCc1ccc2c(c1)C(F)(F)C(F)(F)O2.
What is the InChIKey of 2-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanamine?
The InChIKey is QICKVSYCKJZAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO/c11-9(12)7-5-6(3-4-15)1-2-8(7)16-10(9,13)14/h1-2,5H,3-4,15H2.
What are the key properties of 2-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanamine?
2-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanamine has a molecular weight of 235.18 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 20669274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).