6-bromo-3,3-difluoro-1-(2-trimethylsilylethoxymethyl)-3a,4-dihydroindol-2-one

C14H20BrF2NO2Si — CID 141437884

IUPAC6-bromo-3,3-difluoro-1-(2-trimethylsilylethoxymethyl)-3a,4-dihydroindol-2-one
SMILESC[Si](C)(C)CCOCN1C(=O)C(F)(F)C2CC=C(Br)C=C21
InChIInChI=1S/C14H20BrF2NO2Si/c1-21(2,3)7-6-20-9-18-12-8-10(15)4-5-11(12)14(16,17)13(18)19/h4,8,11H,5-7,9H2,1-3H3
InChIKeyGPNQOOUTILYDMB-UHFFFAOYSA-N
MW380.31 g/mol
LogP3.96
Rot. Bonds5

About 6-bromo-3,3-difluoro-1-(2-trimethylsilylethoxymethyl)-3a,4-dihydroindol-2-one

6-bromo-3,3-difluoro-1-(2-trimethylsilylethoxymethyl)-3a,4-dihydroindol-2-one (PubChem CID 141437884) has the molecular formula C14H20BrF2NO2Si and a molecular weight of 380.31 g/mol. Its IUPAC name is 6-bromo-3,3-difluoro-1-(2-trimethylsilylethoxymethyl)-3a,4-dihydroindol-2-one.

Molecular Properties

Compound Name6-bromo-3,3-difluoro-1-(2-trimethylsilylethoxymethyl)-3a,4-dihydroindol-2-one
PubChem CID141437884
Molecular FormulaC14H20BrF2NO2Si
Molecular Weight380.31 g/mol
Exact Mass379.04
IUPAC Name6-bromo-3,3-difluoro-1-(2-trimethylsilylethoxymethyl)-3a,4-dihydroindol-2-one
SMILESC[Si](C)(C)CCOCN1C(=O)C(F)(F)C2CC=C(Br)C=C21
InChIInChI=1S/C14H20BrF2NO2Si/c1-21(2,3)7-6-20-9-18-12-8-10(15)4-5-11(12)14(16,17)13(18)19/h4,8,11H,5-7,9H2,1-3H3
InChIKeyGPNQOOUTILYDMB-UHFFFAOYSA-N
XLogP3.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-bromo-3,3-difluoro-1-(2-trimethylsilylethoxymethyl)-3a,4-dihydroindol-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-bromo-3,3-difluoro-1-(2-trimethylsilylethoxymethyl)-3a,4-dihydroindol-2-one?
The IUPAC name of 6-bromo-3,3-difluoro-1-(2-trimethylsilylethoxymethyl)-3a,4-dihydroindol-2-one (CID 141437884) is 6-bromo-3,3-difluoro-1-(2-trimethylsilylethoxymethyl)-3a,4-dihydroindol-2-one.
What is the SMILES notation for 6-bromo-3,3-difluoro-1-(2-trimethylsilylethoxymethyl)-3a,4-dihydroindol-2-one?
The canonical SMILES for 6-bromo-3,3-difluoro-1-(2-trimethylsilylethoxymethyl)-3a,4-dihydroindol-2-one is C[Si](C)(C)CCOCN1C(=O)C(F)(F)C2CC=C(Br)C=C21.
What is the InChIKey of 6-bromo-3,3-difluoro-1-(2-trimethylsilylethoxymethyl)-3a,4-dihydroindol-2-one?
The InChIKey is GPNQOOUTILYDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrF2NO2Si/c1-21(2,3)7-6-20-9-18-12-8-10(15)4-5-11(12)14(16,17)13(18)19/h4,8,11H,5-7,9H2,1-3H3.
What are the key properties of 6-bromo-3,3-difluoro-1-(2-trimethylsilylethoxymethyl)-3a,4-dihydroindol-2-one?
6-bromo-3,3-difluoro-1-(2-trimethylsilylethoxymethyl)-3a,4-dihydroindol-2-one has a molecular weight of 380.31 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,3-difluoro-1-(2-trimethylsilylethoxymethyl)-3a,4-dihydroindol-2-one is sourced from PubChem (CID 141437884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).