5-bromo-3-(trifluoromethylsulfanyl)-1-benzofuran

C9H4BrF3OS — CID 132580628

IUPAC5-bromo-3-(trifluoromethylsulfanyl)-1-benzofuran
SMILESFC(F)(F)Sc1coc2ccc(Br)cc12
InChIInChI=1S/C9H4BrF3OS/c10-5-1-2-7-6(3-5)8(4-14-7)15-9(11,12)13/h1-4H
InChIKeyVPBUFYPAGQWSQR-UHFFFAOYSA-N
MW297.10 g/mol
LogP4.81
Rot. Bonds1

About 5-bromo-3-(trifluoromethylsulfanyl)-1-benzofuran

5-bromo-3-(trifluoromethylsulfanyl)-1-benzofuran (PubChem CID 132580628) has the molecular formula C9H4BrF3OS and a molecular weight of 297.10 g/mol. Its IUPAC name is 5-bromo-3-(trifluoromethylsulfanyl)-1-benzofuran.

Molecular Properties

Compound Name5-bromo-3-(trifluoromethylsulfanyl)-1-benzofuran
PubChem CID132580628
Molecular FormulaC9H4BrF3OS
Molecular Weight297.10 g/mol
Exact Mass295.91
IUPAC Name5-bromo-3-(trifluoromethylsulfanyl)-1-benzofuran
SMILESFC(F)(F)Sc1coc2ccc(Br)cc12
InChIInChI=1S/C9H4BrF3OS/c10-5-1-2-7-6(3-5)8(4-14-7)15-9(11,12)13/h1-4H
InChIKeyVPBUFYPAGQWSQR-UHFFFAOYSA-N
XLogP4.81
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.10
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-(trifluoromethyl)-1-benzofuran
CID 71669158
5-bromo-3-(1,1-difluoroethyl)-1-benzofuran
CID 84710327
4-bromo-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene
CID 75406354
5-bromo-3-methoxy-1-benzofuran
CID 83823580
[5-bromo-2-(trifluoromethylsulfanyl)phenyl]hydrazine
CID 130849571
(5-bromo-1-benzofuran-3-yl)methanol;ethane
CID 156725313
6-bromo-4-oxochromene-3-carboxylic acid
CID 2756898
1-(5-bromo-1-benzofuran-3-yl)cyclopropane-1-carbonitrile
CID 90298932
5-bromo-3-(4-methoxyphenyl)-1-benzofuran
CID 58123254
3-(4-bromophenyl)-5-fluoro-1-benzofuran
CID 10565480
1-[5-bromo-2-(trifluoromethylsulfanyl)phenyl]-1-chloropropan-2-one
CID 166640577
3-(2-bromoindeno[1,2-c]chromen-11-yl)propan-1-ol
CID 132502540

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(trifluoromethylsulfanyl)-1-benzofuran?
The IUPAC name of 5-bromo-3-(trifluoromethylsulfanyl)-1-benzofuran (CID 132580628) is 5-bromo-3-(trifluoromethylsulfanyl)-1-benzofuran.
What is the SMILES notation for 5-bromo-3-(trifluoromethylsulfanyl)-1-benzofuran?
The canonical SMILES for 5-bromo-3-(trifluoromethylsulfanyl)-1-benzofuran is FC(F)(F)Sc1coc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-(trifluoromethylsulfanyl)-1-benzofuran?
The InChIKey is VPBUFYPAGQWSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF3OS/c10-5-1-2-7-6(3-5)8(4-14-7)15-9(11,12)13/h1-4H.
What are the key properties of 5-bromo-3-(trifluoromethylsulfanyl)-1-benzofuran?
5-bromo-3-(trifluoromethylsulfanyl)-1-benzofuran has a molecular weight of 297.10 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(trifluoromethylsulfanyl)-1-benzofuran is sourced from PubChem (CID 132580628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).