6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran

C10H6BrF3O2 — CID 166609344

IUPAC6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran
SMILESCOc1cc2c(C(F)(F)F)coc2cc1Br
InChIInChI=1S/C10H6BrF3O2/c1-15-9-2-5-6(10(12,13)14)4-16-8(5)3-7(9)11/h2-4H,1H3
InChIKeyFIJXDQAYWLAKJT-UHFFFAOYSA-N
MW295.05 g/mol
LogP4.22
Rot. Bonds1

About 6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran

6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran (PubChem CID 166609344) has the molecular formula C10H6BrF3O2 and a molecular weight of 295.05 g/mol. Its IUPAC name is 6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran.

Molecular Properties

Compound Name6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran
PubChem CID166609344
Molecular FormulaC10H6BrF3O2
Molecular Weight295.05 g/mol
Exact Mass293.95
IUPAC Name6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran
SMILESCOc1cc2c(C(F)(F)F)coc2cc1Br
InChIInChI=1S/C10H6BrF3O2/c1-15-9-2-5-6(10(12,13)14)4-16-8(5)3-7(9)11/h2-4H,1H3
InChIKeyFIJXDQAYWLAKJT-UHFFFAOYSA-N
XLogP4.22
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.05
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-3-(trifluoromethyl)-1-benzofuran-6-carboxylic acid
CID 166609347
6-bromo-5-methoxy-3-methyl-1-benzofuran
CID 174145354
1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene
CID 131371239
3-bromo-6-fluoro-5-methoxy-1-benzofuran
CID 130050439
5,6-dichloro-3-(trifluoromethyl)-1-benzofuran
CID 166609364
3-bromo-6,7-dimethoxychromen-4-one
CID 67762458
1-bromo-2-methoxy-5-methylsulfanyl-4-(trifluoromethyl)benzene
CID 166108119
6-methoxy-5-(trifluoromethyl)-1-benzofuran-3-carboxylic acid
CID 54164435
5-bromo-4-methoxy-2-(trifluoromethyl)benzonitrile
CID 117449217
3,7-dibromo-2-methoxy-8-methyldibenzofuran
CID 159921662
1-bromo-2-methoxy-4-nitro-5-(trifluoromethyl)benzene
CID 171000191
6-propan-2-yloxy-3-(trifluoromethyl)-1-benzofuran
CID 166609371

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran?
The IUPAC name of 6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran (CID 166609344) is 6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran.
What is the SMILES notation for 6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran?
The canonical SMILES for 6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran is COc1cc2c(C(F)(F)F)coc2cc1Br.
What is the InChIKey of 6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran?
The InChIKey is FIJXDQAYWLAKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3O2/c1-15-9-2-5-6(10(12,13)14)4-16-8(5)3-7(9)11/h2-4H,1H3.
What are the key properties of 6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran?
6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran has a molecular weight of 295.05 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran is sourced from PubChem (CID 166609344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).