ethanamine;5-fluoro-1H-indole

C10H13FN2 — CID 175177872

IUPACethanamine;5-fluoro-1H-indole
SMILESCCN.Fc1ccc2[nH]ccc2c1
InChIInChI=1S/C8H6FN.C2H7N/c9-7-1-2-8-6(5-7)3-4-10-8;1-2-3/h1-5,10H;2-3H2,1H3
InChIKeySUXWOCKNMURNIS-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.27
Rot. Bonds

About ethanamine;5-fluoro-1H-indole

ethanamine;5-fluoro-1H-indole (PubChem CID 175177872) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is ethanamine;5-fluoro-1H-indole.

Molecular Properties

Compound Nameethanamine;5-fluoro-1H-indole
PubChem CID175177872
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Nameethanamine;5-fluoro-1H-indole
SMILESCCN.Fc1ccc2[nH]ccc2c1
InChIInChI=1S/C8H6FN.C2H7N/c9-7-1-2-8-6(5-7)3-4-10-8;1-2-3/h1-5,10H;2-3H2,1H3
InChIKeySUXWOCKNMURNIS-UHFFFAOYSA-N
XLogP2.27
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethanamine;5-fluoro-1H-indole?
The IUPAC name of ethanamine;5-fluoro-1H-indole (CID 175177872) is ethanamine;5-fluoro-1H-indole.
What is the SMILES notation for ethanamine;5-fluoro-1H-indole?
The canonical SMILES for ethanamine;5-fluoro-1H-indole is CCN.Fc1ccc2[nH]ccc2c1.
What is the InChIKey of ethanamine;5-fluoro-1H-indole?
The InChIKey is SUXWOCKNMURNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN.C2H7N/c9-7-1-2-8-6(5-7)3-4-10-8;1-2-3/h1-5,10H;2-3H2,1H3.
What are the key properties of ethanamine;5-fluoro-1H-indole?
ethanamine;5-fluoro-1H-indole has a molecular weight of 180.23 g/mol, XLogP of 2.27, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;5-fluoro-1H-indole is sourced from PubChem (CID 175177872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).