1-(3,5-dibromo-2,6-difluorophenyl)ethanone

C8H4Br2F2O — CID 131033339

IUPAC1-(3,5-dibromo-2,6-difluorophenyl)ethanone
SMILESCC(=O)c1c(F)c(Br)cc(Br)c1F
InChIInChI=1S/C8H4Br2F2O/c1-3(13)6-7(11)4(9)2-5(10)8(6)12/h2H,1H3
InChIKeyYNNSEGFANWSIJX-UHFFFAOYSA-N
MW313.92 g/mol
LogP3.69
Rot. Bonds1

About 1-(3,5-dibromo-2,6-difluorophenyl)ethanone

1-(3,5-dibromo-2,6-difluorophenyl)ethanone (PubChem CID 131033339) has the molecular formula C8H4Br2F2O and a molecular weight of 313.92 g/mol. Its IUPAC name is 1-(3,5-dibromo-2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3,5-dibromo-2,6-difluorophenyl)ethanone
PubChem CID131033339
Molecular FormulaC8H4Br2F2O
Molecular Weight313.92 g/mol
Exact Mass311.86
IUPAC Name1-(3,5-dibromo-2,6-difluorophenyl)ethanone
SMILESCC(=O)c1c(F)c(Br)cc(Br)c1F
InChIInChI=1S/C8H4Br2F2O/c1-3(13)6-7(11)4(9)2-5(10)8(6)12/h2H,1H3
InChIKeyYNNSEGFANWSIJX-UHFFFAOYSA-N
XLogP3.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.92
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dibromo-3,4-difluorophenyl)ethanone
CID 119010401
1-(3-bromo-6-chloro-2-fluorophenyl)ethanone
CID 83409943
1-[3-bromo-6-(difluoromethyl)-2-fluorophenyl]ethanone
CID 131278161
1-(2-bromo-4-fluoro-6-methylphenyl)ethanone
CID 53402494
1-(5-bromo-3,4-difluoro-2-hydroxyphenyl)ethanone
CID 83900439
2-amino-4,6-dibromo-3-fluorobenzoic acid
CID 169315421
1-(3-chloro-2,5,6-trifluorophenyl)ethanone
CID 117298061
1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone
CID 117363982
1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone
CID 19004302
1-(2,6-dibromo-4-iodophenyl)ethanone
CID 171001824
1-[2-bromo-6-(difluoromethyl)-4-fluorophenyl]ethanone
CID 131295838
1-(3-bromo-2-fluoro-4,6-dimethoxyphenyl)ethanone
CID 84811157

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-2,6-difluorophenyl)ethanone?
The IUPAC name of 1-(3,5-dibromo-2,6-difluorophenyl)ethanone (CID 131033339) is 1-(3,5-dibromo-2,6-difluorophenyl)ethanone.
What is the SMILES notation for 1-(3,5-dibromo-2,6-difluorophenyl)ethanone?
The canonical SMILES for 1-(3,5-dibromo-2,6-difluorophenyl)ethanone is CC(=O)c1c(F)c(Br)cc(Br)c1F.
What is the InChIKey of 1-(3,5-dibromo-2,6-difluorophenyl)ethanone?
The InChIKey is YNNSEGFANWSIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2F2O/c1-3(13)6-7(11)4(9)2-5(10)8(6)12/h2H,1H3.
What are the key properties of 1-(3,5-dibromo-2,6-difluorophenyl)ethanone?
1-(3,5-dibromo-2,6-difluorophenyl)ethanone has a molecular weight of 313.92 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-2,6-difluorophenyl)ethanone is sourced from PubChem (CID 131033339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).