1-acetyl-4-chloro-5-fluoro-2H-indol-3-one

C10H7ClFNO2 — CID 18986321

IUPAC1-acetyl-4-chloro-5-fluoro-2H-indol-3-one
SMILESCC(=O)N1CC(=O)c2c1ccc(F)c2Cl
InChIInChI=1S/C10H7ClFNO2/c1-5(14)13-4-8(15)9-7(13)3-2-6(12)10(9)11/h2-3H,4H2,1H3
InChIKeyWJFYMXAMAQJISB-UHFFFAOYSA-N
MW227.62 g/mol
LogP2.03
Rot. Bonds

About 1-acetyl-4-chloro-5-fluoro-2H-indol-3-one

1-acetyl-4-chloro-5-fluoro-2H-indol-3-one (PubChem CID 18986321) has the molecular formula C10H7ClFNO2 and a molecular weight of 227.62 g/mol. Its IUPAC name is 1-acetyl-4-chloro-5-fluoro-2H-indol-3-one.

Molecular Properties

Compound Name1-acetyl-4-chloro-5-fluoro-2H-indol-3-one
PubChem CID18986321
Molecular FormulaC10H7ClFNO2
Molecular Weight227.62 g/mol
Exact Mass227.01
IUPAC Name1-acetyl-4-chloro-5-fluoro-2H-indol-3-one
SMILESCC(=O)N1CC(=O)c2c1ccc(F)c2Cl
InChIInChI=1S/C10H7ClFNO2/c1-5(14)13-4-8(15)9-7(13)3-2-6(12)10(9)11/h2-3H,4H2,1H3
InChIKeyWJFYMXAMAQJISB-UHFFFAOYSA-N
XLogP2.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-chloro-5-fluoro-2H-indol-3-one?
The IUPAC name of 1-acetyl-4-chloro-5-fluoro-2H-indol-3-one (CID 18986321) is 1-acetyl-4-chloro-5-fluoro-2H-indol-3-one.
What is the SMILES notation for 1-acetyl-4-chloro-5-fluoro-2H-indol-3-one?
The canonical SMILES for 1-acetyl-4-chloro-5-fluoro-2H-indol-3-one is CC(=O)N1CC(=O)c2c1ccc(F)c2Cl.
What is the InChIKey of 1-acetyl-4-chloro-5-fluoro-2H-indol-3-one?
The InChIKey is WJFYMXAMAQJISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO2/c1-5(14)13-4-8(15)9-7(13)3-2-6(12)10(9)11/h2-3H,4H2,1H3.
What are the key properties of 1-acetyl-4-chloro-5-fluoro-2H-indol-3-one?
1-acetyl-4-chloro-5-fluoro-2H-indol-3-one has a molecular weight of 227.62 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-chloro-5-fluoro-2H-indol-3-one is sourced from PubChem (CID 18986321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).