2-bromo-4-fluoro-7-methoxy-1-benzofuran

C9H6BrFO2 — CID 83919585

IUPAC2-bromo-4-fluoro-7-methoxy-1-benzofuran
SMILESCOc1ccc(F)c2cc(Br)oc12
InChIInChI=1S/C9H6BrFO2/c1-12-7-3-2-6(11)5-4-8(10)13-9(5)7/h2-4H,1H3
InChIKeySHKUVYFYEHJYDT-UHFFFAOYSA-N
MW245.05 g/mol
LogP3.34
Rot. Bonds1

About 2-bromo-4-fluoro-7-methoxy-1-benzofuran

2-bromo-4-fluoro-7-methoxy-1-benzofuran (PubChem CID 83919585) has the molecular formula C9H6BrFO2 and a molecular weight of 245.05 g/mol. Its IUPAC name is 2-bromo-4-fluoro-7-methoxy-1-benzofuran.

Molecular Properties

Compound Name2-bromo-4-fluoro-7-methoxy-1-benzofuran
PubChem CID83919585
Molecular FormulaC9H6BrFO2
Molecular Weight245.05 g/mol
Exact Mass243.95
IUPAC Name2-bromo-4-fluoro-7-methoxy-1-benzofuran
SMILESCOc1ccc(F)c2cc(Br)oc12
InChIInChI=1S/C9H6BrFO2/c1-12-7-3-2-6(11)5-4-8(10)13-9(5)7/h2-4H,1H3
InChIKeySHKUVYFYEHJYDT-UHFFFAOYSA-N
XLogP3.34
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.05
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-7-methoxy-1-benzothiophene
CID 83920141
4-bromo-7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran
CID 18526067
1-bromo-4-fluoro-2,3-dimethoxybenzene
CID 58420229
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
2-bromo-4-chloro-1-methoxybenzene
CID 140982994
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
2-bromo-8-fluoro-5-methoxyquinoline
CID 102941272
3-(chloromethyl)-1-fluoro-2,4-dimethoxybenzene
CID 130954694
1-bromo-4-fluoro-3-methoxy-2-(trifluoromethyl)benzene
CID 131371820
(2-bromo-6-fluoro-3-methoxyphenyl)methanol
CID 83383602
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
2-bromo-5,6-dimethoxy-1-benzofuran
CID 142737162

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-7-methoxy-1-benzofuran?
The IUPAC name of 2-bromo-4-fluoro-7-methoxy-1-benzofuran (CID 83919585) is 2-bromo-4-fluoro-7-methoxy-1-benzofuran.
What is the SMILES notation for 2-bromo-4-fluoro-7-methoxy-1-benzofuran?
The canonical SMILES for 2-bromo-4-fluoro-7-methoxy-1-benzofuran is COc1ccc(F)c2cc(Br)oc12.
What is the InChIKey of 2-bromo-4-fluoro-7-methoxy-1-benzofuran?
The InChIKey is SHKUVYFYEHJYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFO2/c1-12-7-3-2-6(11)5-4-8(10)13-9(5)7/h2-4H,1H3.
What are the key properties of 2-bromo-4-fluoro-7-methoxy-1-benzofuran?
2-bromo-4-fluoro-7-methoxy-1-benzofuran has a molecular weight of 245.05 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-7-methoxy-1-benzofuran is sourced from PubChem (CID 83919585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).