6-bromo-5-fluoro-2,3-dihydroisoindol-1-one

C8H5BrFNO — CID 90165587

IUPAC6-bromo-5-fluoro-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(F)c(Br)cc21
InChIInChI=1S/C8H5BrFNO/c9-6-2-5-4(1-7(6)10)3-11-8(5)12/h1-2H,3H2,(H,11,12)
InChIKeyARZFLJFYEDQZMB-UHFFFAOYSA-N
MW230.04 g/mol
LogP1.83
Rot. Bonds

About 6-bromo-5-fluoro-2,3-dihydroisoindol-1-one

6-bromo-5-fluoro-2,3-dihydroisoindol-1-one (PubChem CID 90165587) has the molecular formula C8H5BrFNO and a molecular weight of 230.04 g/mol. Its IUPAC name is 6-bromo-5-fluoro-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-bromo-5-fluoro-2,3-dihydroisoindol-1-one
PubChem CID90165587
Molecular FormulaC8H5BrFNO
Molecular Weight230.04 g/mol
Exact Mass228.95
IUPAC Name6-bromo-5-fluoro-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(F)c(Br)cc21
InChIInChI=1S/C8H5BrFNO/c9-6-2-5-4(1-7(6)10)3-11-8(5)12/h1-2H,3H2,(H,11,12)
InChIKeyARZFLJFYEDQZMB-UHFFFAOYSA-N
XLogP1.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.04
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Phthalimidine
CID 10199
4-Bromoisoindolin-1-one
CID 21907509
4-Bromophthalimide
CID 236018
4-Bromo-N-methylphthalimide
CID 790105
6-fluoro-2,3-dihydro-1H-isoindol-1-one
CID 19788105
7-Bromoisoquinolin-1-ol
CID 11276133
6-Bromoisoquinolin-1(2H)-one
CID 15885182
5-bromo-2,3-dihydro-1H-isoindol-1-one
CID 22607119
7-Bromo-4-fluoro-1,2-dihydroisoquinolin-1-one
CID 23649834
5-bromo-N-ethyl-2-fluorobenzamide
CID 24699606
3-(5-Bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)-N~1~-cyclohexylpropanamide
CID 6456979
7-Bromo-2,3-dihydro-1H-isoindol-1-one
CID 15315310

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-bromo-5-fluoro-2,3-dihydroisoindol-1-one (CID 90165587) is 6-bromo-5-fluoro-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-bromo-5-fluoro-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-bromo-5-fluoro-2,3-dihydroisoindol-1-one is O=C1NCc2cc(F)c(Br)cc21.
What is the InChIKey of 6-bromo-5-fluoro-2,3-dihydroisoindol-1-one?
The InChIKey is ARZFLJFYEDQZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFNO/c9-6-2-5-4(1-7(6)10)3-11-8(5)12/h1-2H,3H2,(H,11,12).
What are the key properties of 6-bromo-5-fluoro-2,3-dihydroisoindol-1-one?
6-bromo-5-fluoro-2,3-dihydroisoindol-1-one has a molecular weight of 230.04 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 90165587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).