(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone

C12H7Br2FO3 — CID 103394164

IUPAC(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone
SMILESCOc1cc(F)c(Br)cc1C(=O)c1ccc(Br)o1
InChIInChI=1S/C12H7Br2FO3/c1-17-10-5-8(15)7(13)4-6(10)12(16)9-2-3-11(14)18-9/h2-5H,1H3
InChIKeyUPXDPUYLDXPNRK-UHFFFAOYSA-N
MW377.99 g/mol
LogP4.18
Rot. Bonds3

About (5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone

(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone (PubChem CID 103394164) has the molecular formula C12H7Br2FO3 and a molecular weight of 377.99 g/mol. Its IUPAC name is (5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone.

Molecular Properties

Compound Name(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone
PubChem CID103394164
Molecular FormulaC12H7Br2FO3
Molecular Weight377.99 g/mol
Exact Mass375.87
IUPAC Name(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone
SMILESCOc1cc(F)c(Br)cc1C(=O)c1ccc(Br)o1
InChIInChI=1S/C12H7Br2FO3/c1-17-10-5-8(15)7(13)4-6(10)12(16)9-2-3-11(14)18-9/h2-5H,1H3
InChIKeyUPXDPUYLDXPNRK-UHFFFAOYSA-N
XLogP4.18
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.99
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanone
CID 115792767
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromophenyl)methanone
CID 103394193
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromofuran-3-yl)methanone
CID 106851427
(5-bromofuran-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82095027
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone
CID 103394161
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone
CID 103394058
(5-bromofuran-2-yl)-(2,4-difluorophenyl)methanone
CID 43462664
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 103394230
(4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone
CID 104785062
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanone
CID 103394263
(5-bromo-4-fluoro-2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 103394122
(4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone
CID 103396687

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone?
The IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone (CID 103394164) is (5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone.
What is the SMILES notation for (5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone?
The canonical SMILES for (5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone is COc1cc(F)c(Br)cc1C(=O)c1ccc(Br)o1.
What is the InChIKey of (5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone?
The InChIKey is UPXDPUYLDXPNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2FO3/c1-17-10-5-8(15)7(13)4-6(10)12(16)9-2-3-11(14)18-9/h2-5H,1H3.
What are the key properties of (5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone?
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone has a molecular weight of 377.99 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone is sourced from PubChem (CID 103394164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).