7-bromo-2-fluoro-4-(trifluoromethylsulfonyl)-1H-indene

C10H5BrF4O2S — CID 175549094

IUPAC7-bromo-2-fluoro-4-(trifluoromethylsulfonyl)-1H-indene
SMILESO=S(=O)(c1ccc(Br)c2c1C=C(F)C2)C(F)(F)F
InChIInChI=1S/C10H5BrF4O2S/c11-8-1-2-9(18(16,17)10(13,14)15)7-4-5(12)3-6(7)8/h1-2,4H,3H2
InChIKeyYCHHMGPIBNZGED-UHFFFAOYSA-N
MW345.11 g/mol
LogP3.61
Rot. Bonds1

About 7-bromo-2-fluoro-4-(trifluoromethylsulfonyl)-1H-indene

7-bromo-2-fluoro-4-(trifluoromethylsulfonyl)-1H-indene (PubChem CID 175549094) has the molecular formula C10H5BrF4O2S and a molecular weight of 345.11 g/mol. Its IUPAC name is 7-bromo-2-fluoro-4-(trifluoromethylsulfonyl)-1H-indene.

Molecular Properties

Compound Name7-bromo-2-fluoro-4-(trifluoromethylsulfonyl)-1H-indene
PubChem CID175549094
Molecular FormulaC10H5BrF4O2S
Molecular Weight345.11 g/mol
Exact Mass343.91
IUPAC Name7-bromo-2-fluoro-4-(trifluoromethylsulfonyl)-1H-indene
SMILESO=S(=O)(c1ccc(Br)c2c1C=C(F)C2)C(F)(F)F
InChIInChI=1S/C10H5BrF4O2S/c11-8-1-2-9(18(16,17)10(13,14)15)7-4-5(12)3-6(7)8/h1-2,4H,3H2
InChIKeyYCHHMGPIBNZGED-UHFFFAOYSA-N
XLogP3.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.11
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-fluoro-4-(trifluoromethylsulfonyl)-1H-indene?
The IUPAC name of 7-bromo-2-fluoro-4-(trifluoromethylsulfonyl)-1H-indene (CID 175549094) is 7-bromo-2-fluoro-4-(trifluoromethylsulfonyl)-1H-indene.
What is the SMILES notation for 7-bromo-2-fluoro-4-(trifluoromethylsulfonyl)-1H-indene?
The canonical SMILES for 7-bromo-2-fluoro-4-(trifluoromethylsulfonyl)-1H-indene is O=S(=O)(c1ccc(Br)c2c1C=C(F)C2)C(F)(F)F.
What is the InChIKey of 7-bromo-2-fluoro-4-(trifluoromethylsulfonyl)-1H-indene?
The InChIKey is YCHHMGPIBNZGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF4O2S/c11-8-1-2-9(18(16,17)10(13,14)15)7-4-5(12)3-6(7)8/h1-2,4H,3H2.
What are the key properties of 7-bromo-2-fluoro-4-(trifluoromethylsulfonyl)-1H-indene?
7-bromo-2-fluoro-4-(trifluoromethylsulfonyl)-1H-indene has a molecular weight of 345.11 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-fluoro-4-(trifluoromethylsulfonyl)-1H-indene is sourced from PubChem (CID 175549094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).