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

C12H8BrFO3 — CID 115792767

IUPAC(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(Br)o2)c1F
InChIInChI=1S/C12H8BrFO3/c1-16-8-4-2-3-7(11(8)14)12(15)9-5-6-10(13)17-9/h2-6H,1H3
InChIKeyFFZGMBQNVYISLL-UHFFFAOYSA-N
MW299.10 g/mol
LogP3.42
Rot. Bonds3

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

(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanone (PubChem CID 115792767) has the molecular formula C12H8BrFO3 and a molecular weight of 299.10 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanone
PubChem CID115792767
Molecular FormulaC12H8BrFO3
Molecular Weight299.10 g/mol
Exact Mass297.96
IUPAC Name(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(Br)o2)c1F
InChIInChI=1S/C12H8BrFO3/c1-16-8-4-2-3-7(11(8)14)12(15)9-5-6-10(13)17-9/h2-6H,1H3
InChIKeyFFZGMBQNVYISLL-UHFFFAOYSA-N
XLogP3.42
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone
CID 103394164
(5-bromofuran-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82095027
(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114905847
(2-bromo-4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114025571
3-bromo-1-(2-fluoro-3-methoxyphenyl)propan-1-one
CID 134658322
(5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096201
(4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone
CID 104785062
(4-amino-3-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 116582093
(5-bromofuran-2-yl)-(2,4-difluorophenyl)methanone
CID 43462664
2-chloro-2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanone
CID 112575015
(3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 106644895

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanone (CID 115792767) is (5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanone is COc1cccc(C(=O)c2ccc(Br)o2)c1F.
What is the InChIKey of (5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanone?
The InChIKey is FFZGMBQNVYISLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFO3/c1-16-8-4-2-3-7(11(8)14)12(15)9-5-6-10(13)17-9/h2-6H,1H3.
What are the key properties of (5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanone?
(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanone has a molecular weight of 299.10 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 115792767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).