4-bromo-7-fluoro-2,3-dihydroisoindol-1-one

C8H5BrFNO — CID 130064737

IUPAC4-bromo-7-fluoro-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c(Br)ccc(F)c21
InChIInChI=1S/C8H5BrFNO/c9-5-1-2-6(10)7-4(5)3-11-8(7)12/h1-2H,3H2,(H,11,12)
InChIKeyWBBYTWYEYOFDNC-UHFFFAOYSA-N
MW230.04 g/mol
LogP1.83
Rot. Bonds

About 4-bromo-7-fluoro-2,3-dihydroisoindol-1-one

4-bromo-7-fluoro-2,3-dihydroisoindol-1-one (PubChem CID 130064737) has the molecular formula C8H5BrFNO and a molecular weight of 230.04 g/mol. Its IUPAC name is 4-bromo-7-fluoro-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-bromo-7-fluoro-2,3-dihydroisoindol-1-one
PubChem CID130064737
Molecular FormulaC8H5BrFNO
Molecular Weight230.04 g/mol
Exact Mass228.95
IUPAC Name4-bromo-7-fluoro-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c(Br)ccc(F)c21
InChIInChI=1S/C8H5BrFNO/c9-5-1-2-6(10)7-4(5)3-11-8(7)12/h1-2H,3H2,(H,11,12)
InChIKeyWBBYTWYEYOFDNC-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

4-Bromoisoindolin-1-one
CID 21907509
4-Bromophthalimide
CID 236018
6-fluoro-2,3-dihydro-1H-isoindol-1-one
CID 19788105
5-bromo-2,3-dihydro-1H-isoindol-1-one
CID 22607119
5-bromo-N-ethyl-2-fluorobenzamide
CID 24699606
7-Bromo-2,3-dihydro-1H-isoindol-1-one
CID 15315310
5-fluoro-2,3-dihydro-1H-isoindol-1-one
CID 19788097
4-Bromo-2-methylisoindolin-1-one
CID 21907534
4,7-difluoro-2,3-dihydro-1H-isoindol-1-one
CID 22064630
4-fluoro-2,3-dihydro-1H-isoindol-1-one
CID 22064680
6-Bromo-2,3-dihydro-1H-isoindol-1-one
CID 22220919
5-Bromo-2-methyl-2,3-dihydro-1H-isoindol-1-one
CID 23158169

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-fluoro-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-bromo-7-fluoro-2,3-dihydroisoindol-1-one (CID 130064737) is 4-bromo-7-fluoro-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-bromo-7-fluoro-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-bromo-7-fluoro-2,3-dihydroisoindol-1-one is O=C1NCc2c(Br)ccc(F)c21.
What is the InChIKey of 4-bromo-7-fluoro-2,3-dihydroisoindol-1-one?
The InChIKey is WBBYTWYEYOFDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFNO/c9-5-1-2-6(10)7-4(5)3-11-8(7)12/h1-2H,3H2,(H,11,12).
What are the key properties of 4-bromo-7-fluoro-2,3-dihydroisoindol-1-one?
4-bromo-7-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 4-bromo-7-fluoro-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 130064737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).