7-bromo-4-fluoro-2,3-dihydro-1-benzofuran-2-ol

C8H6BrFO2 — CID 66684322

IUPAC7-bromo-4-fluoro-2,3-dihydro-1-benzofuran-2-ol
SMILESOC1Cc2c(F)ccc(Br)c2O1
InChIInChI=1S/C8H6BrFO2/c9-5-1-2-6(10)4-3-7(11)12-8(4)5/h1-2,7,11H,3H2
InChIKeyYXANKZJGJNSBJU-UHFFFAOYSA-N
MW233.04 g/mol
LogP1.84
Rot. Bonds

About 7-bromo-4-fluoro-2,3-dihydro-1-benzofuran-2-ol

7-bromo-4-fluoro-2,3-dihydro-1-benzofuran-2-ol (PubChem CID 66684322) has the molecular formula C8H6BrFO2 and a molecular weight of 233.04 g/mol. Its IUPAC name is 7-bromo-4-fluoro-2,3-dihydro-1-benzofuran-2-ol.

Molecular Properties

Compound Name7-bromo-4-fluoro-2,3-dihydro-1-benzofuran-2-ol
PubChem CID66684322
Molecular FormulaC8H6BrFO2
Molecular Weight233.04 g/mol
Exact Mass231.95
IUPAC Name7-bromo-4-fluoro-2,3-dihydro-1-benzofuran-2-ol
SMILESOC1Cc2c(F)ccc(Br)c2O1
InChIInChI=1S/C8H6BrFO2/c9-5-1-2-6(10)4-3-7(11)12-8(4)5/h1-2,7,11H,3H2
InChIKeyYXANKZJGJNSBJU-UHFFFAOYSA-N
XLogP1.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.04
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-fluoro-2,3-dihydro-1-benzofuran-2-ol?
The IUPAC name of 7-bromo-4-fluoro-2,3-dihydro-1-benzofuran-2-ol (CID 66684322) is 7-bromo-4-fluoro-2,3-dihydro-1-benzofuran-2-ol.
What is the SMILES notation for 7-bromo-4-fluoro-2,3-dihydro-1-benzofuran-2-ol?
The canonical SMILES for 7-bromo-4-fluoro-2,3-dihydro-1-benzofuran-2-ol is OC1Cc2c(F)ccc(Br)c2O1.
What is the InChIKey of 7-bromo-4-fluoro-2,3-dihydro-1-benzofuran-2-ol?
The InChIKey is YXANKZJGJNSBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO2/c9-5-1-2-6(10)4-3-7(11)12-8(4)5/h1-2,7,11H,3H2.
What are the key properties of 7-bromo-4-fluoro-2,3-dihydro-1-benzofuran-2-ol?
7-bromo-4-fluoro-2,3-dihydro-1-benzofuran-2-ol has a molecular weight of 233.04 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-fluoro-2,3-dihydro-1-benzofuran-2-ol is sourced from PubChem (CID 66684322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).