6-bromo-7-fluoro-1,3-dihydroindol-2-one

C8H5BrFNO — CID 118998058

IUPAC6-bromo-7-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(Br)c(F)c2N1
InChIInChI=1S/C8H5BrFNO/c9-5-2-1-4-3-6(12)11-8(4)7(5)10/h1-2H,3H2,(H,11,12)
InChIKeyYOBPUGUCOJXXIP-UHFFFAOYSA-N
MW230.04 g/mol
LogP2.08
Rot. Bonds

About 6-bromo-7-fluoro-1,3-dihydroindol-2-one

6-bromo-7-fluoro-1,3-dihydroindol-2-one (PubChem CID 118998058) has the molecular formula C8H5BrFNO and a molecular weight of 230.04 g/mol. Its IUPAC name is 6-bromo-7-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-bromo-7-fluoro-1,3-dihydroindol-2-one
PubChem CID118998058
Molecular FormulaC8H5BrFNO
Molecular Weight230.04 g/mol
Exact Mass228.95
IUPAC Name6-bromo-7-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(Br)c(F)c2N1
InChIInChI=1S/C8H5BrFNO/c9-5-2-1-4-3-6(12)11-8(4)7(5)10/h1-2H,3H2,(H,11,12)
InChIKeyYOBPUGUCOJXXIP-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 6-bromo-7-fluoro-1,3-dihydroindol-2-one (CID 118998058) is 6-bromo-7-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-bromo-7-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 6-bromo-7-fluoro-1,3-dihydroindol-2-one is O=C1Cc2ccc(Br)c(F)c2N1.
What is the InChIKey of 6-bromo-7-fluoro-1,3-dihydroindol-2-one?
The InChIKey is YOBPUGUCOJXXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFNO/c9-5-2-1-4-3-6(12)11-8(4)7(5)10/h1-2H,3H2,(H,11,12).
What are the key properties of 6-bromo-7-fluoro-1,3-dihydroindol-2-one?
6-bromo-7-fluoro-1,3-dihydroindol-2-one has a molecular weight of 230.04 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 118998058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).