2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone

C12H6BrClF2O2 — CID 106267777

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone
SMILESO=C(Cc1c(F)ccc(Br)c1F)c1ccoc1Cl
InChIInChI=1S/C12H6BrClF2O2/c13-8-1-2-9(15)7(11(8)16)5-10(17)6-3-4-18-12(6)14/h1-4H,5H2
InChIKeyGXFLZGVMDXIGPG-UHFFFAOYSA-N
MW335.53 g/mol
LogP4.40
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone

2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone (PubChem CID 106267777) has the molecular formula C12H6BrClF2O2 and a molecular weight of 335.53 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone
PubChem CID106267777
Molecular FormulaC12H6BrClF2O2
Molecular Weight335.53 g/mol
Exact Mass333.92
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone
SMILESO=C(Cc1c(F)ccc(Br)c1F)c1ccoc1Cl
InChIInChI=1S/C12H6BrClF2O2/c13-8-1-2-9(15)7(11(8)16)5-10(17)6-3-4-18-12(6)14/h1-4H,5H2
InChIKeyGXFLZGVMDXIGPG-UHFFFAOYSA-N
XLogP4.40
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.53
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(2-ethylfuran-3-yl)ethanone
CID 106267872
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106267622
2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-2-methylphenyl)ethanone
CID 106267406
2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 106266059
1-(2-chlorofuran-3-yl)-2-(4-chlorophenyl)ethanone
CID 106687672
2-(3-bromo-2,6-difluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
CID 106266339
1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanone
CID 106687680
1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272753
2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
CID 106266017
2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone
CID 106265929
1-(2-chlorofuran-3-yl)-2-(4-fluorophenyl)ethanone
CID 106687670
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 106267787

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone (CID 106267777) is 2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone is O=C(Cc1c(F)ccc(Br)c1F)c1ccoc1Cl.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone?
The InChIKey is GXFLZGVMDXIGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClF2O2/c13-8-1-2-9(15)7(11(8)16)5-10(17)6-3-4-18-12(6)14/h1-4H,5H2.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone?
2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone has a molecular weight of 335.53 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone is sourced from PubChem (CID 106267777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).