5-(2-chloroacetyl)-6-fluoroindol-2-one

C10H5ClFNO2 — CID 142631366

IUPAC5-(2-chloroacetyl)-6-fluoroindol-2-one
SMILESO=C1C=c2cc(C(=O)CCl)c(F)cc2=N1
InChIInChI=1S/C10H5ClFNO2/c11-4-9(14)6-1-5-2-10(15)13-8(5)3-7(6)12/h1-3H,4H2
InChIKeyGRLIWOQNPXHSKE-UHFFFAOYSA-N
MW225.61 g/mol
LogP0.19
Rot. Bonds2

About 5-(2-chloroacetyl)-6-fluoroindol-2-one

5-(2-chloroacetyl)-6-fluoroindol-2-one (PubChem CID 142631366) has the molecular formula C10H5ClFNO2 and a molecular weight of 225.61 g/mol. Its IUPAC name is 5-(2-chloroacetyl)-6-fluoroindol-2-one.

Molecular Properties

Compound Name5-(2-chloroacetyl)-6-fluoroindol-2-one
PubChem CID142631366
Molecular FormulaC10H5ClFNO2
Molecular Weight225.61 g/mol
Exact Mass225.00
IUPAC Name5-(2-chloroacetyl)-6-fluoroindol-2-one
SMILESO=C1C=c2cc(C(=O)CCl)c(F)cc2=N1
InChIInChI=1S/C10H5ClFNO2/c11-4-9(14)6-1-5-2-10(15)13-8(5)3-7(6)12/h1-3H,4H2
InChIKeyGRLIWOQNPXHSKE-UHFFFAOYSA-N
XLogP0.19
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.61
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Chloroethyl)-7-fluoroindol-2-one
CID 142631353
5-(2-Chloroethyl)-6-fluoroindol-2-one
CID 142631364
5-(2-Chloroacetyl)-7-fluoroindol-2-one
CID 142631370
4-(1-Chloroethyl)-3-fluoroindol-2-one
CID 150265423
3-(1-Chloroethyl)-4-fluoroindol-2-one
CID 174906606
3-(1-Chloro-2-fluoroethyl)indol-2-one
CID 175017063
6-Chloro-5-(2-chloroethyl)indol-2-one
CID 53420056
5-(2-Chloroacetyl)indol-2-one
CID 87688826
5-(2-Chloropropanoyl)benzimidazol-2-one
CID 141558095
6-Chloro-5-(2-chloroacetyl)indol-2-one
CID 142631365
6-Chloro-5-(2-iodoacetyl)indol-2-one
CID 152336127
3-Chloro-5-(2-chloroethyl)indol-2-one
CID 152716695

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroacetyl)-6-fluoroindol-2-one?
The IUPAC name of 5-(2-chloroacetyl)-6-fluoroindol-2-one (CID 142631366) is 5-(2-chloroacetyl)-6-fluoroindol-2-one.
What is the SMILES notation for 5-(2-chloroacetyl)-6-fluoroindol-2-one?
The canonical SMILES for 5-(2-chloroacetyl)-6-fluoroindol-2-one is O=C1C=c2cc(C(=O)CCl)c(F)cc2=N1.
What is the InChIKey of 5-(2-chloroacetyl)-6-fluoroindol-2-one?
The InChIKey is GRLIWOQNPXHSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNO2/c11-4-9(14)6-1-5-2-10(15)13-8(5)3-7(6)12/h1-3H,4H2.
What are the key properties of 5-(2-chloroacetyl)-6-fluoroindol-2-one?
5-(2-chloroacetyl)-6-fluoroindol-2-one has a molecular weight of 225.61 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroacetyl)-6-fluoroindol-2-one is sourced from PubChem (CID 142631366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).