4-bromo-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-indene

C10H8BrF3O2S — CID 139536315

IUPAC4-bromo-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-indene
SMILESO=S(=O)(c1ccc(Br)c2c1CCC2)C(F)(F)F
InChIInChI=1S/C10H8BrF3O2S/c11-8-4-5-9(7-3-1-2-6(7)8)17(15,16)10(12,13)14/h4-5H,1-3H2
InChIKeyKHLVYWZUJMJFBH-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.23
Rot. Bonds1

About 4-bromo-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-indene

4-bromo-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-indene (PubChem CID 139536315) has the molecular formula C10H8BrF3O2S and a molecular weight of 329.14 g/mol. Its IUPAC name is 4-bromo-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-bromo-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-indene
PubChem CID139536315
Molecular FormulaC10H8BrF3O2S
Molecular Weight329.14 g/mol
Exact Mass327.94
IUPAC Name4-bromo-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-indene
SMILESO=S(=O)(c1ccc(Br)c2c1CCC2)C(F)(F)F
InChIInChI=1S/C10H8BrF3O2S/c11-8-4-5-9(7-3-1-2-6(7)8)17(15,16)10(12,13)14/h4-5H,1-3H2
InChIKeyKHLVYWZUJMJFBH-UHFFFAOYSA-N
XLogP3.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-indene?
The IUPAC name of 4-bromo-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-indene (CID 139536315) is 4-bromo-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-bromo-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 4-bromo-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-indene is O=S(=O)(c1ccc(Br)c2c1CCC2)C(F)(F)F.
What is the InChIKey of 4-bromo-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-indene?
The InChIKey is KHLVYWZUJMJFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3O2S/c11-8-4-5-9(7-3-1-2-6(7)8)17(15,16)10(12,13)14/h4-5H,1-3H2.
What are the key properties of 4-bromo-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-indene?
4-bromo-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-indene has a molecular weight of 329.14 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 139536315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).