2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone

C12H7BrClFO2 — CID 106690925

IUPAC2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone
SMILESO=C(Cc1cc(Br)ccc1F)c1ccc(Cl)o1
InChIInChI=1S/C12H7BrClFO2/c13-8-1-2-9(15)7(5-8)6-10(16)11-3-4-12(14)17-11/h1-5H,6H2
InChIKeyBFBHKBDBCJDKQW-UHFFFAOYSA-N
MW317.54 g/mol
LogP4.26
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone

2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone (PubChem CID 106690925) has the molecular formula C12H7BrClFO2 and a molecular weight of 317.54 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone
PubChem CID106690925
Molecular FormulaC12H7BrClFO2
Molecular Weight317.54 g/mol
Exact Mass315.93
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone
SMILESO=C(Cc1cc(Br)ccc1F)c1ccc(Cl)o1
InChIInChI=1S/C12H7BrClFO2/c13-8-1-2-9(15)7(5-8)6-10(16)11-3-4-12(14)17-11/h1-5H,6H2
InChIKeyBFBHKBDBCJDKQW-UHFFFAOYSA-N
XLogP4.26
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.54
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 55095977
2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone
CID 106687687
2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone
CID 55186206
1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone
CID 106687701
1-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)ethanone
CID 106687651
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 66423629
1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103047928
2-(2,5-difluorophenyl)-1-(5-methylfuran-2-yl)ethanone
CID 114963994
2-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone
CID 115815694
1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one
CID 63409310
N-(4-bromo-2,6-difluorophenyl)-5-chlorofuran-2-carboxamide
CID 65498748
2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethanone
CID 103047974

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone (CID 106690925) is 2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone is O=C(Cc1cc(Br)ccc1F)c1ccc(Cl)o1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone?
The InChIKey is BFBHKBDBCJDKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFO2/c13-8-1-2-9(15)7(5-8)6-10(16)11-3-4-12(14)17-11/h1-5H,6H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone?
2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone has a molecular weight of 317.54 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone is sourced from PubChem (CID 106690925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).