1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone

C15H8BrFO2 — CID 114885395

IUPAC1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone
SMILESO=C(c1cc2ccccc2o1)c1c(F)cccc1Br
InChIInChI=1S/C15H8BrFO2/c16-10-5-3-6-11(17)14(10)15(18)13-8-9-4-1-2-7-12(9)19-13/h1-8H
InChIKeyPMRCDGRYMUJNNT-UHFFFAOYSA-N
MW319.13 g/mol
LogP4.57
Rot. Bonds2

About 1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone

1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone (PubChem CID 114885395) has the molecular formula C15H8BrFO2 and a molecular weight of 319.13 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone
PubChem CID114885395
Molecular FormulaC15H8BrFO2
Molecular Weight319.13 g/mol
Exact Mass317.97
IUPAC Name1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone
SMILESO=C(c1cc2ccccc2o1)c1c(F)cccc1Br
InChIInChI=1S/C15H8BrFO2/c16-10-5-3-6-11(17)14(10)15(18)13-8-9-4-1-2-7-12(9)19-13/h1-8H
InChIKeyPMRCDGRYMUJNNT-UHFFFAOYSA-N
XLogP4.57
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.13
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-6-fluorophenyl)-(5-bromofuran-2-yl)methanone
CID 114558761
1-benzofuran-2-yl-(2-ethyl-6-fluoro-3-hydroxyphenyl)methanone
CID 141300143
(7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 105124504
(2-bromophenyl) 1-benzofuran-2-carboxylate
CID 17391637
N-(2-amino-6-fluorophenyl)-1-benzofuran-2-carboxamide
CID 81315294
(4-amino-2-chlorophenyl)-(2-bromo-6-fluorophenyl)methanone
CID 114561157
1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol
CID 114885782
1-benzofuran-2-yl-(5-bromo-2-iodophenyl)methanone
CID 114032573
(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone
CID 114558647
1-benzofuran-2-yl-(5-hydroxy-1-benzofuran-2-yl)methanone
CID 58035506
1-(1-benzofuran-2-yl)ethanone
CID 15435
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone (CID 114885395) is 1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone is O=C(c1cc2ccccc2o1)c1c(F)cccc1Br.
What is the InChIKey of 1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone?
The InChIKey is PMRCDGRYMUJNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrFO2/c16-10-5-3-6-11(17)14(10)15(18)13-8-9-4-1-2-7-12(9)19-13/h1-8H.
What are the key properties of 1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone?
1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone has a molecular weight of 319.13 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone is sourced from PubChem (CID 114885395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).