7-chloro-3-(chloromethyl)-5-fluoro-1,3-dimethylindol-2-one

C11H10Cl2FNO — CID 122218262

IUPAC7-chloro-3-(chloromethyl)-5-fluoro-1,3-dimethylindol-2-one
SMILESCN1C(=O)C(C)(CCl)c2cc(F)cc(Cl)c21
InChIInChI=1S/C11H10Cl2FNO/c1-11(5-12)7-3-6(14)4-8(13)9(7)15(2)10(11)16/h3-4H,5H2,1-2H3
InChIKeyKACKQULIJIGDIX-UHFFFAOYSA-N
MW262.11 g/mol
LogP2.95
Rot. Bonds1

About 7-chloro-3-(chloromethyl)-5-fluoro-1,3-dimethylindol-2-one

7-chloro-3-(chloromethyl)-5-fluoro-1,3-dimethylindol-2-one (PubChem CID 122218262) has the molecular formula C11H10Cl2FNO and a molecular weight of 262.11 g/mol. Its IUPAC name is 7-chloro-3-(chloromethyl)-5-fluoro-1,3-dimethylindol-2-one.

Molecular Properties

Compound Name7-chloro-3-(chloromethyl)-5-fluoro-1,3-dimethylindol-2-one
PubChem CID122218262
Molecular FormulaC11H10Cl2FNO
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name7-chloro-3-(chloromethyl)-5-fluoro-1,3-dimethylindol-2-one
SMILESCN1C(=O)C(C)(CCl)c2cc(F)cc(Cl)c21
InChIInChI=1S/C11H10Cl2FNO/c1-11(5-12)7-3-6(14)4-8(13)9(7)15(2)10(11)16/h3-4H,5H2,1-2H3
InChIKeyKACKQULIJIGDIX-UHFFFAOYSA-N
XLogP2.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(chloromethyl)-5-fluoro-1,3-dimethylindol-2-one?
The IUPAC name of 7-chloro-3-(chloromethyl)-5-fluoro-1,3-dimethylindol-2-one (CID 122218262) is 7-chloro-3-(chloromethyl)-5-fluoro-1,3-dimethylindol-2-one.
What is the SMILES notation for 7-chloro-3-(chloromethyl)-5-fluoro-1,3-dimethylindol-2-one?
The canonical SMILES for 7-chloro-3-(chloromethyl)-5-fluoro-1,3-dimethylindol-2-one is CN1C(=O)C(C)(CCl)c2cc(F)cc(Cl)c21.
What is the InChIKey of 7-chloro-3-(chloromethyl)-5-fluoro-1,3-dimethylindol-2-one?
The InChIKey is KACKQULIJIGDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FNO/c1-11(5-12)7-3-6(14)4-8(13)9(7)15(2)10(11)16/h3-4H,5H2,1-2H3.
What are the key properties of 7-chloro-3-(chloromethyl)-5-fluoro-1,3-dimethylindol-2-one?
7-chloro-3-(chloromethyl)-5-fluoro-1,3-dimethylindol-2-one has a molecular weight of 262.11 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(chloromethyl)-5-fluoro-1,3-dimethylindol-2-one is sourced from PubChem (CID 122218262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).