3-(2-aminoethyl)-6-fluoro-1,3-dihydroindol-2-one;hydrochloride

C10H12ClFN2O — CID 118162198

IUPAC3-(2-aminoethyl)-6-fluoro-1,3-dihydroindol-2-one;hydrochloride
SMILESCl.NCCC1C(=O)Nc2cc(F)ccc21
InChIInChI=1S/C10H11FN2O.ClH/c11-6-1-2-7-8(3-4-12)10(14)13-9(7)5-6;/h1-2,5,8H,3-4,12H2,(H,13,14);1H
InChIKeyQMNNTJSOBPELPR-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.63
Rot. Bonds2

About 3-(2-aminoethyl)-6-fluoro-1,3-dihydroindol-2-one;hydrochloride

3-(2-aminoethyl)-6-fluoro-1,3-dihydroindol-2-one;hydrochloride (PubChem CID 118162198) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 3-(2-aminoethyl)-6-fluoro-1,3-dihydroindol-2-one;hydrochloride.

Molecular Properties

Compound Name3-(2-aminoethyl)-6-fluoro-1,3-dihydroindol-2-one;hydrochloride
PubChem CID118162198
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name3-(2-aminoethyl)-6-fluoro-1,3-dihydroindol-2-one;hydrochloride
SMILESCl.NCCC1C(=O)Nc2cc(F)ccc21
InChIInChI=1S/C10H11FN2O.ClH/c11-6-1-2-7-8(3-4-12)10(14)13-9(7)5-6;/h1-2,5,8H,3-4,12H2,(H,13,14);1H
InChIKeyQMNNTJSOBPELPR-UHFFFAOYSA-N
XLogP1.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-6-fluoro-1,3-dihydroindol-2-one;hydrochloride?
The IUPAC name of 3-(2-aminoethyl)-6-fluoro-1,3-dihydroindol-2-one;hydrochloride (CID 118162198) is 3-(2-aminoethyl)-6-fluoro-1,3-dihydroindol-2-one;hydrochloride.
What is the SMILES notation for 3-(2-aminoethyl)-6-fluoro-1,3-dihydroindol-2-one;hydrochloride?
The canonical SMILES for 3-(2-aminoethyl)-6-fluoro-1,3-dihydroindol-2-one;hydrochloride is Cl.NCCC1C(=O)Nc2cc(F)ccc21.
What is the InChIKey of 3-(2-aminoethyl)-6-fluoro-1,3-dihydroindol-2-one;hydrochloride?
The InChIKey is QMNNTJSOBPELPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O.ClH/c11-6-1-2-7-8(3-4-12)10(14)13-9(7)5-6;/h1-2,5,8H,3-4,12H2,(H,13,14);1H.
What are the key properties of 3-(2-aminoethyl)-6-fluoro-1,3-dihydroindol-2-one;hydrochloride?
3-(2-aminoethyl)-6-fluoro-1,3-dihydroindol-2-one;hydrochloride has a molecular weight of 230.67 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-6-fluoro-1,3-dihydroindol-2-one;hydrochloride is sourced from PubChem (CID 118162198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).