2-(5,6-difluoro-7H-indol-3-yl)ethanamine

C10H10F2N2 — CID 67232623

IUPAC2-(5,6-difluoro-7H-indol-3-yl)ethanamine
SMILESNCCC1=CN=C2CC(F)=C(F)C=C12
InChIInChI=1S/C10H10F2N2/c11-8-3-7-6(1-2-13)5-14-10(7)4-9(8)12/h3,5H,1-2,4,13H2
InChIKeyGBIOIIYNJCLJOD-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.15
Rot. Bonds2

About 2-(5,6-difluoro-7H-indol-3-yl)ethanamine

2-(5,6-difluoro-7H-indol-3-yl)ethanamine (PubChem CID 67232623) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-(5,6-difluoro-7H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5,6-difluoro-7H-indol-3-yl)ethanamine
PubChem CID67232623
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC Name2-(5,6-difluoro-7H-indol-3-yl)ethanamine
SMILESNCCC1=CN=C2CC(F)=C(F)C=C12
InChIInChI=1S/C10H10F2N2/c11-8-3-7-6(1-2-13)5-14-10(7)4-9(8)12/h3,5H,1-2,4,13H2
InChIKeyGBIOIIYNJCLJOD-UHFFFAOYSA-N
XLogP2.15
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluoro-7H-indol-3-yl)ethanamine?
The IUPAC name of 2-(5,6-difluoro-7H-indol-3-yl)ethanamine (CID 67232623) is 2-(5,6-difluoro-7H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(5,6-difluoro-7H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(5,6-difluoro-7H-indol-3-yl)ethanamine is NCCC1=CN=C2CC(F)=C(F)C=C12.
What is the InChIKey of 2-(5,6-difluoro-7H-indol-3-yl)ethanamine?
The InChIKey is GBIOIIYNJCLJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2/c11-8-3-7-6(1-2-13)5-14-10(7)4-9(8)12/h3,5H,1-2,4,13H2.
What are the key properties of 2-(5,6-difluoro-7H-indol-3-yl)ethanamine?
2-(5,6-difluoro-7H-indol-3-yl)ethanamine has a molecular weight of 196.20 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluoro-7H-indol-3-yl)ethanamine is sourced from PubChem (CID 67232623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).