5-fluoro-1-(2-phenylethyl)indole-2,3-dione

C16H12FNO2 — CID 7678107

IUPAC5-fluoro-1-(2-phenylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCc2ccccc2)c2ccc(F)cc21
InChIInChI=1S/C16H12FNO2/c17-12-6-7-14-13(10-12)15(19)16(20)18(14)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKeyFMQVEHDXVCRVTP-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.60
Rot. Bonds3

About 5-fluoro-1-(2-phenylethyl)indole-2,3-dione

5-fluoro-1-(2-phenylethyl)indole-2,3-dione (PubChem CID 7678107) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-fluoro-1-(2-phenylethyl)indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-1-(2-phenylethyl)indole-2,3-dione
PubChem CID7678107
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name5-fluoro-1-(2-phenylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCc2ccccc2)c2ccc(F)cc21
InChIInChI=1S/C16H12FNO2/c17-12-6-7-14-13(10-12)15(19)16(20)18(14)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKeyFMQVEHDXVCRVTP-UHFFFAOYSA-N
XLogP2.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-phenylethyl)indole-2,3-dione?
The IUPAC name of 5-fluoro-1-(2-phenylethyl)indole-2,3-dione (CID 7678107) is 5-fluoro-1-(2-phenylethyl)indole-2,3-dione.
What is the SMILES notation for 5-fluoro-1-(2-phenylethyl)indole-2,3-dione?
The canonical SMILES for 5-fluoro-1-(2-phenylethyl)indole-2,3-dione is O=C1C(=O)N(CCc2ccccc2)c2ccc(F)cc21.
What is the InChIKey of 5-fluoro-1-(2-phenylethyl)indole-2,3-dione?
The InChIKey is FMQVEHDXVCRVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-12-6-7-14-13(10-12)15(19)16(20)18(14)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2.
What are the key properties of 5-fluoro-1-(2-phenylethyl)indole-2,3-dione?
5-fluoro-1-(2-phenylethyl)indole-2,3-dione has a molecular weight of 269.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-phenylethyl)indole-2,3-dione is sourced from PubChem (CID 7678107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).