3-bromo-6-fluoro-5-methoxy-1-benzofuran

C9H6BrFO2 — CID 130050439

IUPAC3-bromo-6-fluoro-5-methoxy-1-benzofuran
SMILESCOc1cc2c(Br)coc2cc1F
InChIInChI=1S/C9H6BrFO2/c1-12-9-2-5-6(10)4-13-8(5)3-7(9)11/h2-4H,1H3
InChIKeyRADMDXOGYIMWGC-UHFFFAOYSA-N
MW245.05 g/mol
LogP3.34
Rot. Bonds1

About 3-bromo-6-fluoro-5-methoxy-1-benzofuran

3-bromo-6-fluoro-5-methoxy-1-benzofuran (PubChem CID 130050439) has the molecular formula C9H6BrFO2 and a molecular weight of 245.05 g/mol. Its IUPAC name is 3-bromo-6-fluoro-5-methoxy-1-benzofuran.

Molecular Properties

Compound Name3-bromo-6-fluoro-5-methoxy-1-benzofuran
PubChem CID130050439
Molecular FormulaC9H6BrFO2
Molecular Weight245.05 g/mol
Exact Mass243.95
IUPAC Name3-bromo-6-fluoro-5-methoxy-1-benzofuran
SMILESCOc1cc2c(Br)coc2cc1F
InChIInChI=1S/C9H6BrFO2/c1-12-9-2-5-6(10)4-13-8(5)3-7(9)11/h2-4H,1H3
InChIKeyRADMDXOGYIMWGC-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

3-bromo-6,7-dimethoxychromen-4-one
CID 67762458
6-bromo-5-methoxy-3-methyl-1-benzofuran
CID 174145354
6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran
CID 166609344
1-bromo-2,4-difluoro-5-methoxybenzene
CID 68809379
1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene
CID 160948339
2-bromo-4-fluoro-5-methoxybenzenethiol
CID 171006071
1-(2-bromo-4-fluoro-5-methoxyphenyl)ethanone
CID 131613610
5-bromo-3-methoxy-1-benzofuran
CID 83823580
1-bromo-5-fluoro-2-methoxy-4-methylbenzene
CID 57022351
2-(2-bromo-5-fluoro-4-methoxyphenyl)acetonitrile
CID 19261417
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
6-bromo-3-(3,5-dibromo-4-hydroxyphenyl)-7-methoxychromen-4-one
CID 46928809

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-fluoro-5-methoxy-1-benzofuran?
The IUPAC name of 3-bromo-6-fluoro-5-methoxy-1-benzofuran (CID 130050439) is 3-bromo-6-fluoro-5-methoxy-1-benzofuran.
What is the SMILES notation for 3-bromo-6-fluoro-5-methoxy-1-benzofuran?
The canonical SMILES for 3-bromo-6-fluoro-5-methoxy-1-benzofuran is COc1cc2c(Br)coc2cc1F.
What is the InChIKey of 3-bromo-6-fluoro-5-methoxy-1-benzofuran?
The InChIKey is RADMDXOGYIMWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFO2/c1-12-9-2-5-6(10)4-13-8(5)3-7(9)11/h2-4H,1H3.
What are the key properties of 3-bromo-6-fluoro-5-methoxy-1-benzofuran?
3-bromo-6-fluoro-5-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 3-bromo-6-fluoro-5-methoxy-1-benzofuran is sourced from PubChem (CID 130050439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).