(7-bromo-4,5-difluoro-1-benzofuran-3-yl)methanol

C9H5BrF2O2 — CID 90384337

IUPAC(7-bromo-4,5-difluoro-1-benzofuran-3-yl)methanol
SMILESOCc1coc2c(Br)cc(F)c(F)c12
InChIInChI=1S/C9H5BrF2O2/c10-5-1-6(11)8(12)7-4(2-13)3-14-9(5)7/h1,3,13H,2H2
InChIKeyPGOZQEXFXAYZPI-UHFFFAOYSA-N
MW263.04 g/mol
LogP2.97
Rot. Bonds1

About (7-bromo-4,5-difluoro-1-benzofuran-3-yl)methanol

(7-bromo-4,5-difluoro-1-benzofuran-3-yl)methanol (PubChem CID 90384337) has the molecular formula C9H5BrF2O2 and a molecular weight of 263.04 g/mol. Its IUPAC name is (7-bromo-4,5-difluoro-1-benzofuran-3-yl)methanol.

Molecular Properties

Compound Name(7-bromo-4,5-difluoro-1-benzofuran-3-yl)methanol
PubChem CID90384337
Molecular FormulaC9H5BrF2O2
Molecular Weight263.04 g/mol
Exact Mass261.94
IUPAC Name(7-bromo-4,5-difluoro-1-benzofuran-3-yl)methanol
SMILESOCc1coc2c(Br)cc(F)c(F)c12
InChIInChI=1S/C9H5BrF2O2/c10-5-1-6(11)8(12)7-4(2-13)3-14-9(5)7/h1,3,13H,2H2
InChIKeyPGOZQEXFXAYZPI-UHFFFAOYSA-N
XLogP2.97
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.04
LogP ≤ 52.97
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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Frequently Asked Questions

What is the IUPAC name of (7-bromo-4,5-difluoro-1-benzofuran-3-yl)methanol?
The IUPAC name of (7-bromo-4,5-difluoro-1-benzofuran-3-yl)methanol (CID 90384337) is (7-bromo-4,5-difluoro-1-benzofuran-3-yl)methanol.
What is the SMILES notation for (7-bromo-4,5-difluoro-1-benzofuran-3-yl)methanol?
The canonical SMILES for (7-bromo-4,5-difluoro-1-benzofuran-3-yl)methanol is OCc1coc2c(Br)cc(F)c(F)c12.
What is the InChIKey of (7-bromo-4,5-difluoro-1-benzofuran-3-yl)methanol?
The InChIKey is PGOZQEXFXAYZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF2O2/c10-5-1-6(11)8(12)7-4(2-13)3-14-9(5)7/h1,3,13H,2H2.
What are the key properties of (7-bromo-4,5-difluoro-1-benzofuran-3-yl)methanol?
(7-bromo-4,5-difluoro-1-benzofuran-3-yl)methanol has a molecular weight of 263.04 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-4,5-difluoro-1-benzofuran-3-yl)methanol is sourced from PubChem (CID 90384337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).