2-amino-1-(4-fluoroindol-1-yl)ethanone;hydrochloride

C10H10ClFN2O — CID 23659103

IUPAC2-amino-1-(4-fluoroindol-1-yl)ethanone;hydrochloride
SMILESCl.NCC(=O)n1ccc2c(F)cccc21
InChIInChI=1S/C10H9FN2O.ClH/c11-8-2-1-3-9-7(8)4-5-13(9)10(14)6-12;/h1-5H,6,12H2;1H
InChIKeyVBWZPQPFPMNENK-UHFFFAOYSA-N
MW228.65 g/mol
LogP1.80
Rot. Bonds1

About 2-amino-1-(4-fluoroindol-1-yl)ethanone;hydrochloride

2-amino-1-(4-fluoroindol-1-yl)ethanone;hydrochloride (PubChem CID 23659103) has the molecular formula C10H10ClFN2O and a molecular weight of 228.65 g/mol. Its IUPAC name is 2-amino-1-(4-fluoroindol-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-fluoroindol-1-yl)ethanone;hydrochloride
PubChem CID23659103
Molecular FormulaC10H10ClFN2O
Molecular Weight228.65 g/mol
Exact Mass228.05
IUPAC Name2-amino-1-(4-fluoroindol-1-yl)ethanone;hydrochloride
SMILESCl.NCC(=O)n1ccc2c(F)cccc21
InChIInChI=1S/C10H9FN2O.ClH/c11-8-2-1-3-9-7(8)4-5-13(9)10(14)6-12;/h1-5H,6,12H2;1H
InChIKeyVBWZPQPFPMNENK-UHFFFAOYSA-N
XLogP1.80
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-fluoroindol-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(4-fluoroindol-1-yl)ethanone;hydrochloride (CID 23659103) is 2-amino-1-(4-fluoroindol-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-fluoroindol-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(4-fluoroindol-1-yl)ethanone;hydrochloride is Cl.NCC(=O)n1ccc2c(F)cccc21.
What is the InChIKey of 2-amino-1-(4-fluoroindol-1-yl)ethanone;hydrochloride?
The InChIKey is VBWZPQPFPMNENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O.ClH/c11-8-2-1-3-9-7(8)4-5-13(9)10(14)6-12;/h1-5H,6,12H2;1H.
What are the key properties of 2-amino-1-(4-fluoroindol-1-yl)ethanone;hydrochloride?
2-amino-1-(4-fluoroindol-1-yl)ethanone;hydrochloride has a molecular weight of 228.65 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-fluoroindol-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 23659103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).