4-bromo-3,3,7-trifluoro-1H-indol-2-one

C8H3BrF3NO — CID 121361952

IUPAC4-bromo-3,3,7-trifluoro-1H-indol-2-one
SMILESO=C1Nc2c(F)ccc(Br)c2C1(F)F
InChIInChI=1S/C8H3BrF3NO/c9-3-1-2-4(10)6-5(3)8(11,12)7(14)13-6/h1-2H,(H,13,14)
InChIKeyYKADIYYBYAKWPP-UHFFFAOYSA-N
MW266.02 g/mol
LogP2.63
Rot. Bonds

About 4-bromo-3,3,7-trifluoro-1H-indol-2-one

4-bromo-3,3,7-trifluoro-1H-indol-2-one (PubChem CID 121361952) has the molecular formula C8H3BrF3NO and a molecular weight of 266.02 g/mol. Its IUPAC name is 4-bromo-3,3,7-trifluoro-1H-indol-2-one.

Molecular Properties

Compound Name4-bromo-3,3,7-trifluoro-1H-indol-2-one
PubChem CID121361952
Molecular FormulaC8H3BrF3NO
Molecular Weight266.02 g/mol
Exact Mass264.94
IUPAC Name4-bromo-3,3,7-trifluoro-1H-indol-2-one
SMILESO=C1Nc2c(F)ccc(Br)c2C1(F)F
InChIInChI=1S/C8H3BrF3NO/c9-3-1-2-4(10)6-5(3)8(11,12)7(14)13-6/h1-2H,(H,13,14)
InChIKeyYKADIYYBYAKWPP-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.02
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-7-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 130049276
4-bromo-3,3-difluoro-1H-indol-2-one
CID 66815517
4-bromo-7-fluoro-1H-indole-2,3-dione
CID 43555512
7-fluoro-3,3,4-trimethyl-1H-indol-2-one
CID 80501015
8-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 130051331
(3S)-3-amino-4-bromo-3,7-dimethyl-1H-indol-2-one
CID 130620057
7-fluoro-2'-methylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 106702100
7-bromo-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 103863094
8-fluoro-3,3-dimethyl-1,4-dihydroquinolin-2-one
CID 102357907
6-fluoro-3,3-dimethyl-2,5-dihydro-1,5-benzothiazepin-4-one
CID 115098386
5-bromo-3,3,6-trifluoro-1H-pyrrolo[2,3-b]pyridin-2-one
CID 168954457
4-(3-bromo-2,6-difluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136965576

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,3,7-trifluoro-1H-indol-2-one?
The IUPAC name of 4-bromo-3,3,7-trifluoro-1H-indol-2-one (CID 121361952) is 4-bromo-3,3,7-trifluoro-1H-indol-2-one.
What is the SMILES notation for 4-bromo-3,3,7-trifluoro-1H-indol-2-one?
The canonical SMILES for 4-bromo-3,3,7-trifluoro-1H-indol-2-one is O=C1Nc2c(F)ccc(Br)c2C1(F)F.
What is the InChIKey of 4-bromo-3,3,7-trifluoro-1H-indol-2-one?
The InChIKey is YKADIYYBYAKWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF3NO/c9-3-1-2-4(10)6-5(3)8(11,12)7(14)13-6/h1-2H,(H,13,14).
What are the key properties of 4-bromo-3,3,7-trifluoro-1H-indol-2-one?
4-bromo-3,3,7-trifluoro-1H-indol-2-one has a molecular weight of 266.02 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,3,7-trifluoro-1H-indol-2-one is sourced from PubChem (CID 121361952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).