5-bromo-2-(trifluoromethyl)-1-benzofuran

C9H4BrF3O — CID 25209424

IUPAC5-bromo-2-(trifluoromethyl)-1-benzofuran
SMILESFC(F)(F)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C9H4BrF3O/c10-6-1-2-7-5(3-6)4-8(14-7)9(11,12)13/h1-4H
InChIKeyWPDFSGZBCAETJT-UHFFFAOYSA-N
MW265.03 g/mol
LogP4.21
Rot. Bonds

About 5-bromo-2-(trifluoromethyl)-1-benzofuran

5-bromo-2-(trifluoromethyl)-1-benzofuran (PubChem CID 25209424) has the molecular formula C9H4BrF3O and a molecular weight of 265.03 g/mol. Its IUPAC name is 5-bromo-2-(trifluoromethyl)-1-benzofuran.

Molecular Properties

Compound Name5-bromo-2-(trifluoromethyl)-1-benzofuran
PubChem CID25209424
Molecular FormulaC9H4BrF3O
Molecular Weight265.03 g/mol
Exact Mass263.94
IUPAC Name5-bromo-2-(trifluoromethyl)-1-benzofuran
SMILESFC(F)(F)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C9H4BrF3O/c10-6-1-2-7-5(3-6)4-8(14-7)9(11,12)13/h1-4H
InChIKeyWPDFSGZBCAETJT-UHFFFAOYSA-N
XLogP4.21
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.03
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,8-Dibromodibenzofuran
CID 82290
2-Bromodibenzofuran
CID 6856
2-Methylbenzofuran
CID 20263
2,3,7,8-Tetrabromodibenzofuran
CID 49973
Dibenzofuran, 2,7-dibromo-
CID 47643
1,2,7,8-Tetrabromodibenzofuran
CID 55290
3,4,8-Tribromo-dibenzofuran
CID 526349
3-Bromodibenzofuran
CID 296861
4-Bromodibenzo[b,d]furan
CID 458256
2-(4-Bromophenyl)benzofuran
CID 15193131
3-Bromo-1-benzofuran
CID 640589
2-Bromo-1-benzofuran
CID 2776264

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(trifluoromethyl)-1-benzofuran?
The IUPAC name of 5-bromo-2-(trifluoromethyl)-1-benzofuran (CID 25209424) is 5-bromo-2-(trifluoromethyl)-1-benzofuran.
What is the SMILES notation for 5-bromo-2-(trifluoromethyl)-1-benzofuran?
The canonical SMILES for 5-bromo-2-(trifluoromethyl)-1-benzofuran is FC(F)(F)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-2-(trifluoromethyl)-1-benzofuran?
The InChIKey is WPDFSGZBCAETJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF3O/c10-6-1-2-7-5(3-6)4-8(14-7)9(11,12)13/h1-4H.
What are the key properties of 5-bromo-2-(trifluoromethyl)-1-benzofuran?
5-bromo-2-(trifluoromethyl)-1-benzofuran has a molecular weight of 265.03 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(trifluoromethyl)-1-benzofuran is sourced from PubChem (CID 25209424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).