4-bromo-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran

C9H8BrFO2 — CID 121412474

IUPAC4-bromo-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran
SMILESCOC1Cc2c(ccc(F)c2Br)O1
InChIInChI=1S/C9H8BrFO2/c1-12-8-4-5-7(13-8)3-2-6(11)9(5)10/h2-3,8H,4H2,1H3
InChIKeyYNVAGVFNKOCLMH-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.50
Rot. Bonds1

About 4-bromo-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran

4-bromo-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran (PubChem CID 121412474) has the molecular formula C9H8BrFO2 and a molecular weight of 247.06 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name4-bromo-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran
PubChem CID121412474
Molecular FormulaC9H8BrFO2
Molecular Weight247.06 g/mol
Exact Mass245.97
IUPAC Name4-bromo-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran
SMILESCOC1Cc2c(ccc(F)c2Br)O1
InChIInChI=1S/C9H8BrFO2/c1-12-8-4-5-7(13-8)3-2-6(11)9(5)10/h2-3,8H,4H2,1H3
InChIKeyYNVAGVFNKOCLMH-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Bromo-2,3-dihydro-1-benzofuran
CID 11252616
4-Bromo-2,3-dihydrobenzofuran
CID 53350366
Methoxycoumaran
CID 45090850
3-bromo-6-fluoro-2-methoxy-2H-chromene
CID 20136739
7-Bromo-2-(trifluoromethoxy)-2,3-dihydro-1-benzofuran
CID 54310060
7-Bromo-4-fluoro-2,3-dihydro-1-benzofuran-2-ol
CID 66684322
2-(4-Bromo-3-fluoro-2-methylphenoxy)tetrahydropyran
CID 67249012
2-(2-Bromo-6-fluoro-5-ethoxyphenyl)-1,3-dioxolane
CID 68010537
1-Bromo-2-(1-fluoroethenyl)-3-(2-methoxyethoxy)benzene
CID 68235480
1-Bromo-3-[2-(4-fluorophenyl)ethoxymethoxy]benzene
CID 68532545
1-Bromo-3-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 71174909
5-Bromo-4-fluoro-2,3-dihydrobenzofuran
CID 82374548

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran?
The IUPAC name of 4-bromo-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran (CID 121412474) is 4-bromo-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 4-bromo-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran?
The canonical SMILES for 4-bromo-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran is COC1Cc2c(ccc(F)c2Br)O1.
What is the InChIKey of 4-bromo-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran?
The InChIKey is YNVAGVFNKOCLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO2/c1-12-8-4-5-7(13-8)3-2-6(11)9(5)10/h2-3,8H,4H2,1H3.
What are the key properties of 4-bromo-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran?
4-bromo-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran has a molecular weight of 247.06 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 121412474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).