6-chloro-3,3-difluoro-1H-indol-2-one

C8H4ClF2NO — CID 58398958

IUPAC6-chloro-3,3-difluoro-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2C1(F)F
InChIInChI=1S/C8H4ClF2NO/c9-4-1-2-5-6(3-4)12-7(13)8(5,10)11/h1-3H,(H,12,13)
InChIKeyYKMPOQLLXKHRPJ-UHFFFAOYSA-N
MW203.58 g/mol
LogP2.38
Rot. Bonds

About 6-chloro-3,3-difluoro-1H-indol-2-one

6-chloro-3,3-difluoro-1H-indol-2-one (PubChem CID 58398958) has the molecular formula C8H4ClF2NO and a molecular weight of 203.58 g/mol. Its IUPAC name is 6-chloro-3,3-difluoro-1H-indol-2-one.

Molecular Properties

Compound Name6-chloro-3,3-difluoro-1H-indol-2-one
PubChem CID58398958
Molecular FormulaC8H4ClF2NO
Molecular Weight203.58 g/mol
Exact Mass202.99
IUPAC Name6-chloro-3,3-difluoro-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2C1(F)F
InChIInChI=1S/C8H4ClF2NO/c9-4-1-2-5-6(3-4)12-7(13)8(5,10)11/h1-3H,(H,12,13)
InChIKeyYKMPOQLLXKHRPJ-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.58
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-chloro-3,3-difluoro-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,3-difluoro-1H-indol-2-one?
The IUPAC name of 6-chloro-3,3-difluoro-1H-indol-2-one (CID 58398958) is 6-chloro-3,3-difluoro-1H-indol-2-one.
What is the SMILES notation for 6-chloro-3,3-difluoro-1H-indol-2-one?
The canonical SMILES for 6-chloro-3,3-difluoro-1H-indol-2-one is O=C1Nc2cc(Cl)ccc2C1(F)F.
What is the InChIKey of 6-chloro-3,3-difluoro-1H-indol-2-one?
The InChIKey is YKMPOQLLXKHRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF2NO/c9-4-1-2-5-6(3-4)12-7(13)8(5,10)11/h1-3H,(H,12,13).
What are the key properties of 6-chloro-3,3-difluoro-1H-indol-2-one?
6-chloro-3,3-difluoro-1H-indol-2-one has a molecular weight of 203.58 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,3-difluoro-1H-indol-2-one is sourced from PubChem (CID 58398958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).