(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromofuran-3-yl)methanone

C12H7Br2FO3 — CID 106851427

IUPAC(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromofuran-3-yl)methanone
SMILESCOc1cc(F)c(Br)cc1C(=O)c1ccoc1Br
InChIInChI=1S/C12H7Br2FO3/c1-17-10-5-9(15)8(13)4-7(10)11(16)6-2-3-18-12(6)14/h2-5H,1H3
InChIKeyQPTKJNAZNMRDIE-UHFFFAOYSA-N
MW377.99 g/mol
LogP4.18
Rot. Bonds3

About (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromofuran-3-yl)methanone

(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromofuran-3-yl)methanone (PubChem CID 106851427) has the molecular formula C12H7Br2FO3 and a molecular weight of 377.99 g/mol. Its IUPAC name is (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromofuran-3-yl)methanone.

Molecular Properties

Compound Name(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromofuran-3-yl)methanone
PubChem CID106851427
Molecular FormulaC12H7Br2FO3
Molecular Weight377.99 g/mol
Exact Mass375.87
IUPAC Name(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromofuran-3-yl)methanone
SMILESCOc1cc(F)c(Br)cc1C(=O)c1ccoc1Br
InChIInChI=1S/C12H7Br2FO3/c1-17-10-5-9(15)8(13)4-7(10)11(16)6-2-3-18-12(6)14/h2-5H,1H3
InChIKeyQPTKJNAZNMRDIE-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-bromo-4-fluoro-2-methoxyphenyl)-(2-bromophenyl)methanone
CID 103394193
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone
CID 103394164
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone
CID 103394161
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone
CID 103394058
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanone
CID 103394263
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone
CID 103394235
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 103394230
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882282
(4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone
CID 103396687
(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 105056401
(5-bromo-4-fluoro-2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 103394122
(3-amino-5-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone
CID 103396702

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromofuran-3-yl)methanone?
The IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromofuran-3-yl)methanone (CID 106851427) is (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromofuran-3-yl)methanone.
What is the SMILES notation for (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromofuran-3-yl)methanone?
The canonical SMILES for (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromofuran-3-yl)methanone is COc1cc(F)c(Br)cc1C(=O)c1ccoc1Br.
What is the InChIKey of (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromofuran-3-yl)methanone?
The InChIKey is QPTKJNAZNMRDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2FO3/c1-17-10-5-9(15)8(13)4-7(10)11(16)6-2-3-18-12(6)14/h2-5H,1H3.
What are the key properties of (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromofuran-3-yl)methanone?
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromofuran-3-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)-(2-bromofuran-3-yl)methanone is sourced from PubChem (CID 106851427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).