4,5-difluoro-3,3-dimethyl-1H-indol-2-one

C10H9F2NO — CID 58386652

IUPAC4,5-difluoro-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(F)c(F)c21
InChIInChI=1S/C10H9F2NO/c1-10(2)7-6(13-9(10)14)4-3-5(11)8(7)12/h3-4H,1-2H3,(H,13,14)
InChIKeyCEXGTSDPIZEZDK-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.19
Rot. Bonds

About 4,5-difluoro-3,3-dimethyl-1H-indol-2-one

4,5-difluoro-3,3-dimethyl-1H-indol-2-one (PubChem CID 58386652) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 4,5-difluoro-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name4,5-difluoro-3,3-dimethyl-1H-indol-2-one
PubChem CID58386652
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name4,5-difluoro-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(F)c(F)c21
InChIInChI=1S/C10H9F2NO/c1-10(2)7-6(13-9(10)14)4-3-5(11)8(7)12/h3-4H,1-2H3,(H,13,14)
InChIKeyCEXGTSDPIZEZDK-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 4,5-difluoro-3,3-dimethyl-1H-indol-2-one (CID 58386652) is 4,5-difluoro-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 4,5-difluoro-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 4,5-difluoro-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(F)c(F)c21.
What is the InChIKey of 4,5-difluoro-3,3-dimethyl-1H-indol-2-one?
The InChIKey is CEXGTSDPIZEZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c1-10(2)7-6(13-9(10)14)4-3-5(11)8(7)12/h3-4H,1-2H3,(H,13,14).
What are the key properties of 4,5-difluoro-3,3-dimethyl-1H-indol-2-one?
4,5-difluoro-3,3-dimethyl-1H-indol-2-one has a molecular weight of 197.18 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 58386652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).