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

C14H11BrF2O2 — CID 106267872

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(2-ethylfuran-3-yl)ethanone
SMILESCCc1occc1C(=O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H11BrF2O2/c1-2-13-8(5-6-19-13)12(18)7-9-11(16)4-3-10(15)14(9)17/h3-6H,2,7H2,1H3
InChIKeyYKHMLXSADSFNEG-UHFFFAOYSA-N
MW329.14 g/mol
LogP4.31
Rot. Bonds4

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

2-(3-bromo-2,6-difluorophenyl)-1-(2-ethylfuran-3-yl)ethanone (PubChem CID 106267872) has the molecular formula C14H11BrF2O2 and a molecular weight of 329.14 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(2-ethylfuran-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(2-ethylfuran-3-yl)ethanone
PubChem CID106267872
Molecular FormulaC14H11BrF2O2
Molecular Weight329.14 g/mol
Exact Mass327.99
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(2-ethylfuran-3-yl)ethanone
SMILESCCc1occc1C(=O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H11BrF2O2/c1-2-13-8(5-6-19-13)12(18)7-9-11(16)4-3-10(15)14(9)17/h3-6H,2,7H2,1H3
InChIKeyYKHMLXSADSFNEG-UHFFFAOYSA-N
XLogP4.31
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 54.31
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-chlorofuran-3-yl)ethanone
CID 106267777
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106267622
2-(3-bromo-2,6-difluorophenyl)-1-(5-ethylfuran-2-yl)ethanone
CID 106267927
2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 106266059
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 106267787
1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272753
2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-2-methylphenyl)ethanone
CID 106267406
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
2-(3-bromo-2,6-difluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
CID 106266339
2-(3-bromo-2,6-difluorophenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106266355
2-(3-bromo-2,6-difluorophenyl)acetamide
CID 131036088

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(2-ethylfuran-3-yl)ethanone?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(2-ethylfuran-3-yl)ethanone (CID 106267872) is 2-(3-bromo-2,6-difluorophenyl)-1-(2-ethylfuran-3-yl)ethanone.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(2-ethylfuran-3-yl)ethanone?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(2-ethylfuran-3-yl)ethanone is CCc1occc1C(=O)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(2-ethylfuran-3-yl)ethanone?
The InChIKey is YKHMLXSADSFNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O2/c1-2-13-8(5-6-19-13)12(18)7-9-11(16)4-3-10(15)14(9)17/h3-6H,2,7H2,1H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(2-ethylfuran-3-yl)ethanone?
2-(3-bromo-2,6-difluorophenyl)-1-(2-ethylfuran-3-yl)ethanone has a molecular weight of 329.14 g/mol, XLogP of 4.31, 4 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-ethylfuran-3-yl)ethanone is sourced from PubChem (CID 106267872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).