1-(2-aminoethyl)-7-fluoroindole-2,3-dione

C10H9FN2O2 — CID 84621035

IUPAC1-(2-aminoethyl)-7-fluoroindole-2,3-dione
SMILESNCCN1C(=O)C(=O)c2cccc(F)c21
InChIInChI=1S/C10H9FN2O2/c11-7-3-1-2-6-8(7)13(5-4-12)10(15)9(6)14/h1-3H,4-5,12H2
InChIKeyBUDDQKLIBRNXMA-UHFFFAOYSA-N
MW208.19 g/mol
LogP0.31
Rot. Bonds2

About 1-(2-aminoethyl)-7-fluoroindole-2,3-dione

1-(2-aminoethyl)-7-fluoroindole-2,3-dione (PubChem CID 84621035) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 1-(2-aminoethyl)-7-fluoroindole-2,3-dione.

Molecular Properties

Compound Name1-(2-aminoethyl)-7-fluoroindole-2,3-dione
PubChem CID84621035
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name1-(2-aminoethyl)-7-fluoroindole-2,3-dione
SMILESNCCN1C(=O)C(=O)c2cccc(F)c21
InChIInChI=1S/C10H9FN2O2/c11-7-3-1-2-6-8(7)13(5-4-12)10(15)9(6)14/h1-3H,4-5,12H2
InChIKeyBUDDQKLIBRNXMA-UHFFFAOYSA-N
XLogP0.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(aminomethyl)prop-2-enyl]-7-fluoroindole-2,3-dione
CID 103072739
7-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]indole-2,3-dione
CID 116616336
1-(2-ethylbutyl)-7-fluoroindole-2,3-dione
CID 58101394
1-(cyclopentylmethyl)-7-fluoroindole-2,3-dione
CID 58101411
7-fluoro-1-[(2S)-2-methylbutyl]indole-2,3-dione
CID 58101404
1-(3-aminopropyl)-7-methylindole-2,3-dione
CID 84622799
1-[(2,3-dichlorophenyl)methyl]-7-fluoroindole-2,3-dione
CID 107306780
1-[4-[2,3-dioxo-7-(trifluoromethyl)indol-1-yl]butyl]-7-(trifluoromethyl)indole-2,3-dione
CID 169008038
2-(2-aminoethyl)isoindole-1,3-dione;hydrochloride
CID 22063849
[4-[(7-fluoro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl carbamimidothioate
CID 155235189
7-fluoro-1-(trideuteriomethyl)indole-2,3-dione
CID 155291932
7-bromo-1-[(2-fluorophenyl)methyl]indole-2,3-dione
CID 60711816

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-7-fluoroindole-2,3-dione?
The IUPAC name of 1-(2-aminoethyl)-7-fluoroindole-2,3-dione (CID 84621035) is 1-(2-aminoethyl)-7-fluoroindole-2,3-dione.
What is the SMILES notation for 1-(2-aminoethyl)-7-fluoroindole-2,3-dione?
The canonical SMILES for 1-(2-aminoethyl)-7-fluoroindole-2,3-dione is NCCN1C(=O)C(=O)c2cccc(F)c21.
What is the InChIKey of 1-(2-aminoethyl)-7-fluoroindole-2,3-dione?
The InChIKey is BUDDQKLIBRNXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c11-7-3-1-2-6-8(7)13(5-4-12)10(15)9(6)14/h1-3H,4-5,12H2.
What are the key properties of 1-(2-aminoethyl)-7-fluoroindole-2,3-dione?
1-(2-aminoethyl)-7-fluoroindole-2,3-dione has a molecular weight of 208.19 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-7-fluoroindole-2,3-dione is sourced from PubChem (CID 84621035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).