4-bromo-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol

C10H10BrFO3S — CID 156859324

IUPAC4-bromo-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol
SMILESCS(=O)(=O)c1ccc(Br)c2c1C(O)C(F)C2
InChIInChI=1S/C10H10BrFO3S/c1-16(14,15)8-3-2-6(11)5-4-7(12)10(13)9(5)8/h2-3,7,10,13H,4H2,1H3
InChIKeyZBKJSWPILGFACG-UHFFFAOYSA-N
MW309.16 g/mol
LogP1.78
Rot. Bonds1

About 4-bromo-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol

4-bromo-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 156859324) has the molecular formula C10H10BrFO3S and a molecular weight of 309.16 g/mol. Its IUPAC name is 4-bromo-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-bromo-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol
PubChem CID156859324
Molecular FormulaC10H10BrFO3S
Molecular Weight309.16 g/mol
Exact Mass307.95
IUPAC Name4-bromo-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol
SMILESCS(=O)(=O)c1ccc(Br)c2c1C(O)C(F)C2
InChIInChI=1S/C10H10BrFO3S/c1-16(14,15)8-3-2-6(11)5-4-7(12)10(13)9(5)8/h2-3,7,10,13H,4H2,1H3
InChIKeyZBKJSWPILGFACG-UHFFFAOYSA-N
XLogP1.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-bromo-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol (CID 156859324) is 4-bromo-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-bromo-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-bromo-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol is CS(=O)(=O)c1ccc(Br)c2c1C(O)C(F)C2.
What is the InChIKey of 4-bromo-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is ZBKJSWPILGFACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3S/c1-16(14,15)8-3-2-6(11)5-4-7(12)10(13)9(5)8/h2-3,7,10,13H,4H2,1H3.
What are the key properties of 4-bromo-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol?
4-bromo-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 309.16 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 156859324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).