4-bromo-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene

C10H6BrF5O2S — CID 122515511

IUPAC4-bromo-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene
SMILESO=S(=O)(c1ccc(Br)c2c1CC(F)(F)C2)C(F)(F)F
InChIInChI=1S/C10H6BrF5O2S/c11-7-1-2-8(19(17,18)10(14,15)16)6-4-9(12,13)3-5(6)7/h1-2H,3-4H2
InChIKeySVXHZWAZZMBADQ-UHFFFAOYSA-N
MW365.12 g/mol
LogP3.48
Rot. Bonds1

About 4-bromo-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene

4-bromo-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene (PubChem CID 122515511) has the molecular formula C10H6BrF5O2S and a molecular weight of 365.12 g/mol. Its IUPAC name is 4-bromo-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene.

Molecular Properties

Compound Name4-bromo-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene
PubChem CID122515511
Molecular FormulaC10H6BrF5O2S
Molecular Weight365.12 g/mol
Exact Mass363.92
IUPAC Name4-bromo-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene
SMILESO=S(=O)(c1ccc(Br)c2c1CC(F)(F)C2)C(F)(F)F
InChIInChI=1S/C10H6BrF5O2S/c11-7-1-2-8(19(17,18)10(14,15)16)6-4-9(12,13)3-5(6)7/h1-2H,3-4H2
InChIKeySVXHZWAZZMBADQ-UHFFFAOYSA-N
XLogP3.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.12
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene?
The IUPAC name of 4-bromo-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene (CID 122515511) is 4-bromo-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene.
What is the SMILES notation for 4-bromo-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene?
The canonical SMILES for 4-bromo-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene is O=S(=O)(c1ccc(Br)c2c1CC(F)(F)C2)C(F)(F)F.
What is the InChIKey of 4-bromo-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene?
The InChIKey is SVXHZWAZZMBADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF5O2S/c11-7-1-2-8(19(17,18)10(14,15)16)6-4-9(12,13)3-5(6)7/h1-2H,3-4H2.
What are the key properties of 4-bromo-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene?
4-bromo-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene has a molecular weight of 365.12 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene is sourced from PubChem (CID 122515511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).