5,6-dichloro-7-fluoro-3,3-dimethyl-1H-indol-2-one

C10H8Cl2FNO — CID 167203366

IUPAC5,6-dichloro-7-fluoro-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2c1cc(Cl)c(Cl)c2F
InChIInChI=1S/C10H8Cl2FNO/c1-10(2)4-3-5(11)6(12)7(13)8(4)14-9(10)15/h3H,1-2H3,(H,14,15)
InChIKeyOFUBXTDWJYNTMB-UHFFFAOYSA-N
MW248.08 g/mol
LogP3.36
Rot. Bonds

About 5,6-dichloro-7-fluoro-3,3-dimethyl-1H-indol-2-one

5,6-dichloro-7-fluoro-3,3-dimethyl-1H-indol-2-one (PubChem CID 167203366) has the molecular formula C10H8Cl2FNO and a molecular weight of 248.08 g/mol. Its IUPAC name is 5,6-dichloro-7-fluoro-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5,6-dichloro-7-fluoro-3,3-dimethyl-1H-indol-2-one
PubChem CID167203366
Molecular FormulaC10H8Cl2FNO
Molecular Weight248.08 g/mol
Exact Mass247.00
IUPAC Name5,6-dichloro-7-fluoro-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2c1cc(Cl)c(Cl)c2F
InChIInChI=1S/C10H8Cl2FNO/c1-10(2)4-3-5(11)6(12)7(13)8(4)14-9(10)15/h3H,1-2H3,(H,14,15)
InChIKeyOFUBXTDWJYNTMB-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-7-fluoro-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5,6-dichloro-7-fluoro-3,3-dimethyl-1H-indol-2-one (CID 167203366) is 5,6-dichloro-7-fluoro-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5,6-dichloro-7-fluoro-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5,6-dichloro-7-fluoro-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2c1cc(Cl)c(Cl)c2F.
What is the InChIKey of 5,6-dichloro-7-fluoro-3,3-dimethyl-1H-indol-2-one?
The InChIKey is OFUBXTDWJYNTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2FNO/c1-10(2)4-3-5(11)6(12)7(13)8(4)14-9(10)15/h3H,1-2H3,(H,14,15).
What are the key properties of 5,6-dichloro-7-fluoro-3,3-dimethyl-1H-indol-2-one?
5,6-dichloro-7-fluoro-3,3-dimethyl-1H-indol-2-one has a molecular weight of 248.08 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-7-fluoro-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 167203366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).