7-bromo-5-fluoro-4-methylsulfonyl-1,3-dihydroinden-2-one

C10H8BrFO3S — CID 175332350

IUPAC7-bromo-5-fluoro-4-methylsulfonyl-1,3-dihydroinden-2-one
SMILESCS(=O)(=O)c1c(F)cc(Br)c2c1CC(=O)C2
InChIInChI=1S/C10H8BrFO3S/c1-16(14,15)10-7-3-5(13)2-6(7)8(11)4-9(10)12/h4H,2-3H2,1H3
InChIKeyMZFBTPAWPXZIMG-UHFFFAOYSA-N
MW307.14 g/mol
LogP1.66
Rot. Bonds1

About 7-bromo-5-fluoro-4-methylsulfonyl-1,3-dihydroinden-2-one

7-bromo-5-fluoro-4-methylsulfonyl-1,3-dihydroinden-2-one (PubChem CID 175332350) has the molecular formula C10H8BrFO3S and a molecular weight of 307.14 g/mol. Its IUPAC name is 7-bromo-5-fluoro-4-methylsulfonyl-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name7-bromo-5-fluoro-4-methylsulfonyl-1,3-dihydroinden-2-one
PubChem CID175332350
Molecular FormulaC10H8BrFO3S
Molecular Weight307.14 g/mol
Exact Mass305.94
IUPAC Name7-bromo-5-fluoro-4-methylsulfonyl-1,3-dihydroinden-2-one
SMILESCS(=O)(=O)c1c(F)cc(Br)c2c1CC(=O)C2
InChIInChI=1S/C10H8BrFO3S/c1-16(14,15)10-7-3-5(13)2-6(7)8(11)4-9(10)12/h4H,2-3H2,1H3
InChIKeyMZFBTPAWPXZIMG-UHFFFAOYSA-N
XLogP1.66
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-7-(trifluoromethylsulfonyl)-2,3-dihydroinden-1-one
CID 122515481
4-bromo-2,2-difluoro-7-(trifluoromethylsulfonyl)-3H-inden-1-one
CID 122515497
4-Bromo-2,6-difluoro-7-methylsulfonyl-2,3-dihydroinden-1-one
CID 156859028
4-bromo-2-fluoro-7-(methylsulfonyl)-2,3-dihydro-1H-inden-1-one
CID 156859032
4-Bromo-6-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one
CID 156859115
4-Bromo-6-fluoro-7-methylsulfonyl-2,3-dihydroinden-1-one
CID 156859240
4-Bromo-2-fluoro-7-(trifluoromethylsulfonyl)-2,3-dihydroinden-1-one
CID 156859408
4-Bromo-7-(difluoromethylsulfonyl)-2,3-dihydroinden-1-one
CID 164883119
4-Bromo-7-(difluoromethylsulfonyl)-2-fluoro-2,3-dihydroinden-1-one
CID 164883141
4-Bromo-7-(difluoromethylsulfanyl)-2,3-dihydroinden-1-one
CID 164883178
Methyl 7-bromo-5-fluoro-3-oxo-1,2-dihydroindene-4-sulfonate
CID 167333612
Methyl 7-bromo-2,5-difluoro-3-oxo-1,2-dihydroindene-4-sulfonate
CID 167333617

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-4-methylsulfonyl-1,3-dihydroinden-2-one?
The IUPAC name of 7-bromo-5-fluoro-4-methylsulfonyl-1,3-dihydroinden-2-one (CID 175332350) is 7-bromo-5-fluoro-4-methylsulfonyl-1,3-dihydroinden-2-one.
What is the SMILES notation for 7-bromo-5-fluoro-4-methylsulfonyl-1,3-dihydroinden-2-one?
The canonical SMILES for 7-bromo-5-fluoro-4-methylsulfonyl-1,3-dihydroinden-2-one is CS(=O)(=O)c1c(F)cc(Br)c2c1CC(=O)C2.
What is the InChIKey of 7-bromo-5-fluoro-4-methylsulfonyl-1,3-dihydroinden-2-one?
The InChIKey is MZFBTPAWPXZIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFO3S/c1-16(14,15)10-7-3-5(13)2-6(7)8(11)4-9(10)12/h4H,2-3H2,1H3.
What are the key properties of 7-bromo-5-fluoro-4-methylsulfonyl-1,3-dihydroinden-2-one?
7-bromo-5-fluoro-4-methylsulfonyl-1,3-dihydroinden-2-one has a molecular weight of 307.14 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-4-methylsulfonyl-1,3-dihydroinden-2-one is sourced from PubChem (CID 175332350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).