4-bromo-3,3-difluoro-1H-indol-2-one

C8H4BrF2NO — CID 66815517

IUPAC4-bromo-3,3-difluoro-1H-indol-2-one
SMILESO=C1Nc2cccc(Br)c2C1(F)F
InChIInChI=1S/C8H4BrF2NO/c9-4-2-1-3-5-6(4)8(10,11)7(13)12-5/h1-3H,(H,12,13)
InChIKeyJFNVMGCGDNXXGH-UHFFFAOYSA-N
MW248.03 g/mol
LogP2.49
Rot. Bonds

About 4-bromo-3,3-difluoro-1H-indol-2-one

4-bromo-3,3-difluoro-1H-indol-2-one (PubChem CID 66815517) has the molecular formula C8H4BrF2NO and a molecular weight of 248.03 g/mol. Its IUPAC name is 4-bromo-3,3-difluoro-1H-indol-2-one.

Molecular Properties

Compound Name4-bromo-3,3-difluoro-1H-indol-2-one
PubChem CID66815517
Molecular FormulaC8H4BrF2NO
Molecular Weight248.03 g/mol
Exact Mass246.94
IUPAC Name4-bromo-3,3-difluoro-1H-indol-2-one
SMILESO=C1Nc2cccc(Br)c2C1(F)F
InChIInChI=1S/C8H4BrF2NO/c9-4-2-1-3-5-6(4)8(10,11)7(13)12-5/h1-3H,(H,12,13)
InChIKeyJFNVMGCGDNXXGH-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.03
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3,3,7-trifluoro-1H-indol-2-one
CID 121361952
(3S)-4-bromo-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
CID 102230628
3,3-difluoro-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-indol-2-one
CID 121362148
4-bromo-5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
CID 141480606
5-bromo-4-hydroxy-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
CID 139034023
9-bromo-3,3-dimethyl-2,5-dihydro-1,5-benzothiazepin-4-one
CID 115098260
5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
CID 115096887
4-acetyl-3,3-difluoro-1H-indol-2-one;1,3-dihydroindol-2-one
CID 157257812
6-chloro-3,3-difluoro-1H-indol-2-one
CID 58398958
8-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
CID 71295703
(3R)-4-fluoro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
CID 122397629
4-chloro-3,3-dimethyl-1H-indol-2-one
CID 53402598

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,3-difluoro-1H-indol-2-one?
The IUPAC name of 4-bromo-3,3-difluoro-1H-indol-2-one (CID 66815517) is 4-bromo-3,3-difluoro-1H-indol-2-one.
What is the SMILES notation for 4-bromo-3,3-difluoro-1H-indol-2-one?
The canonical SMILES for 4-bromo-3,3-difluoro-1H-indol-2-one is O=C1Nc2cccc(Br)c2C1(F)F.
What is the InChIKey of 4-bromo-3,3-difluoro-1H-indol-2-one?
The InChIKey is JFNVMGCGDNXXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF2NO/c9-4-2-1-3-5-6(4)8(10,11)7(13)12-5/h1-3H,(H,12,13).
What are the key properties of 4-bromo-3,3-difluoro-1H-indol-2-one?
4-bromo-3,3-difluoro-1H-indol-2-one has a molecular weight of 248.03 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,3-difluoro-1H-indol-2-one is sourced from PubChem (CID 66815517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).