4-bromo-6,7-difluoro-2,3-dihydro-1-benzofuran-5-ol

C8H5BrF2O2 — CID 150336196

IUPAC4-bromo-6,7-difluoro-2,3-dihydro-1-benzofuran-5-ol
SMILESOc1c(F)c(F)c2c(c1Br)CCO2
InChIInChI=1S/C8H5BrF2O2/c9-4-3-1-2-13-8(3)6(11)5(10)7(4)12/h12H,1-2H2
InChIKeyGQSKVXYLKSUDGH-UHFFFAOYSA-N
MW251.03 g/mol
LogP2.37
Rot. Bonds

About 4-bromo-6,7-difluoro-2,3-dihydro-1-benzofuran-5-ol

4-bromo-6,7-difluoro-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 150336196) has the molecular formula C8H5BrF2O2 and a molecular weight of 251.03 g/mol. Its IUPAC name is 4-bromo-6,7-difluoro-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name4-bromo-6,7-difluoro-2,3-dihydro-1-benzofuran-5-ol
PubChem CID150336196
Molecular FormulaC8H5BrF2O2
Molecular Weight251.03 g/mol
Exact Mass249.94
IUPAC Name4-bromo-6,7-difluoro-2,3-dihydro-1-benzofuran-5-ol
SMILESOc1c(F)c(F)c2c(c1Br)CCO2
InChIInChI=1S/C8H5BrF2O2/c9-4-3-1-2-13-8(3)6(11)5(10)7(4)12/h12H,1-2H2
InChIKeyGQSKVXYLKSUDGH-UHFFFAOYSA-N
XLogP2.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.03
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone
CID 115010612
4-bromo-7-chloro-6-fluoro-1,3-benzodioxol-5-ol
CID 84712463
N-[(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)methyl]ethanamine
CID 116986352
methyl 4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylate
CID 116986374
4-bromo-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 142236889
2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid
CID 117498128
2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetonitrile
CID 58589743
2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-methylpropanenitrile
CID 116986376
N-[(6,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methylidene]hydroxylamine
CID 174857655
2-(4-bromo-5-methyl-2,3-dihydro-1-benzofuran-7-yl)acetamide
CID 175908737
5-bromo-10-(trifluoromethyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene
CID 116986460
8-(2-hydroxyethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
CID 117317683

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6,7-difluoro-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 4-bromo-6,7-difluoro-2,3-dihydro-1-benzofuran-5-ol (CID 150336196) is 4-bromo-6,7-difluoro-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 4-bromo-6,7-difluoro-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 4-bromo-6,7-difluoro-2,3-dihydro-1-benzofuran-5-ol is Oc1c(F)c(F)c2c(c1Br)CCO2.
What is the InChIKey of 4-bromo-6,7-difluoro-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is GQSKVXYLKSUDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2O2/c9-4-3-1-2-13-8(3)6(11)5(10)7(4)12/h12H,1-2H2.
What are the key properties of 4-bromo-6,7-difluoro-2,3-dihydro-1-benzofuran-5-ol?
4-bromo-6,7-difluoro-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 251.03 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6,7-difluoro-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 150336196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).