(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone

C15H8BrFO2 — CID 114724999

IUPAC(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cccc(Br)c1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H8BrFO2/c16-11-3-1-2-9(6-11)15(18)14-8-10-7-12(17)4-5-13(10)19-14/h1-8H
InChIKeyPILUHPLWZQNGCO-UHFFFAOYSA-N
MW319.13 g/mol
LogP4.57
Rot. Bonds2

About (3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone

(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 114724999) has the molecular formula C15H8BrFO2 and a molecular weight of 319.13 g/mol. Its IUPAC name is (3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
PubChem CID114724999
Molecular FormulaC15H8BrFO2
Molecular Weight319.13 g/mol
Exact Mass317.97
IUPAC Name(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cccc(Br)c1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H8BrFO2/c16-11-3-1-2-9(6-11)15(18)14-8-10-7-12(17)4-5-13(10)19-14/h1-8H
InChIKeyPILUHPLWZQNGCO-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

(2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 107944793
(5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
CID 115766377
(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 115808883
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114725891
(2-bromo-3,4-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 107538000
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
(5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 113338112
(3,5-dibromo-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114726080
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808106
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanone
CID 105132409

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of (3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone (CID 114724999) is (3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone is O=C(c1cccc(Br)c1)c1cc2cc(F)ccc2o1.
What is the InChIKey of (3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is PILUHPLWZQNGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrFO2/c16-11-3-1-2-9(6-11)15(18)14-8-10-7-12(17)4-5-13(10)19-14/h1-8H.
What are the key properties of (3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)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 (3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114724999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).