5-bromo-3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one

C10H10BrF2NO2 — CID 141185876

IUPAC5-bromo-3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one
SMILESCOCN1C(=O)C(F)(F)C2CC(Br)=CC=C21
InChIInChI=1S/C10H10BrF2NO2/c1-16-5-14-8-3-2-6(11)4-7(8)10(12,13)9(14)15/h2-3,7H,4-5H2,1H3
InChIKeyVRKVCNYGYFOIMF-UHFFFAOYSA-N
MW294.10 g/mol
LogP2.25
Rot. Bonds2

About 5-bromo-3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one

5-bromo-3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one (PubChem CID 141185876) has the molecular formula C10H10BrF2NO2 and a molecular weight of 294.10 g/mol. Its IUPAC name is 5-bromo-3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one
PubChem CID141185876
Molecular FormulaC10H10BrF2NO2
Molecular Weight294.10 g/mol
Exact Mass292.99
IUPAC Name5-bromo-3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one
SMILESCOCN1C(=O)C(F)(F)C2CC(Br)=CC=C21
InChIInChI=1S/C10H10BrF2NO2/c1-16-5-14-8-3-2-6(11)4-7(8)10(12,13)9(14)15/h2-3,7H,4-5H2,1H3
InChIKeyVRKVCNYGYFOIMF-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-1-propyl-3a,4-dihydro-3H-indol-2-one
CID 141049129
3,3-Difluoro-1-methyl-3a,4-dihydroindol-2-one
CID 141161913
3,3-Difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one
CID 141185855
6-Bromo-5-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one
CID 141394955
6-Bromo-3,3-difluoro-1-(2-trimethylsilylethoxymethyl)-3a,4-dihydroindol-2-one
CID 141437884
5-Bromo-3,3-difluoro-1-(2-trimethylsilylethoxymethyl)-3a,4-dihydroindol-2-one
CID 141503313
6-Bromo-3,3-difluoro-1-(3-oxocyclobutyl)-3a,4-dihydroindol-2-one
CID 156782213
5-bromo-1-methyl-3a,4-dihydro-3H-indol-2-one
CID 140968519
3a-bromo-1-(methoxymethyl)-4H-indole-2,3-dione
CID 141185868
6-bromo-1-methyl-3a,4-dihydro-3H-indol-2-one
CID 141290778
5-Bromo-1-methyl-3a,4-dihydroindole-2,3-dione
CID 141481963
5-Bromo-1,3,3-trimethyl-3a,4-dihydroindol-2-one
CID 141534590

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one?
The IUPAC name of 5-bromo-3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one (CID 141185876) is 5-bromo-3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one is COCN1C(=O)C(F)(F)C2CC(Br)=CC=C21.
What is the InChIKey of 5-bromo-3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one?
The InChIKey is VRKVCNYGYFOIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO2/c1-16-5-14-8-3-2-6(11)4-7(8)10(12,13)9(14)15/h2-3,7H,4-5H2,1H3.
What are the key properties of 5-bromo-3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one?
5-bromo-3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one has a molecular weight of 294.10 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one is sourced from PubChem (CID 141185876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).