1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone

C14H8BrF3O — CID 114559875

IUPAC1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1F)c1c(F)cccc1Br
InChIInChI=1S/C14H8BrF3O/c15-10-2-1-3-11(17)14(10)13(19)6-8-4-5-9(16)7-12(8)18/h1-5,7H,6H2
InChIKeyCTMTYZGWZNJAFC-UHFFFAOYSA-N
MW329.12 g/mol
LogP4.29
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone

1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone (PubChem CID 114559875) has the molecular formula C14H8BrF3O and a molecular weight of 329.12 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone
PubChem CID114559875
Molecular FormulaC14H8BrF3O
Molecular Weight329.12 g/mol
Exact Mass327.97
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1F)c1c(F)cccc1Br
InChIInChI=1S/C14H8BrF3O/c15-10-2-1-3-11(17)14(10)13(19)6-8-4-5-9(16)7-12(8)18/h1-5,7H,6H2
InChIKeyCTMTYZGWZNJAFC-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.12
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide
CID 115678323
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885338
2-amino-1-(2-bromo-6-fluorophenyl)ethanone
CID 84695252
1-(4-bromo-1H-indol-3-yl)-2-(2,4-difluorophenyl)ethanone
CID 115351551
1-(4,5-dibromothiophen-2-yl)-2-(2,4-difluorophenyl)ethanone
CID 80532645
1-(3-bromofuran-2-yl)-2-(2,4-difluorophenyl)ethanone
CID 64561569
1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone
CID 114559851
1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114885464
(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone
CID 114558647
1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone
CID 107538119
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885477
3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide
CID 103985523

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone (CID 114559875) is 1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone is O=C(Cc1ccc(F)cc1F)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone?
The InChIKey is CTMTYZGWZNJAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF3O/c15-10-2-1-3-11(17)14(10)13(19)6-8-4-5-9(16)7-12(8)18/h1-5,7H,6H2.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone?
1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone has a molecular weight of 329.12 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 114559875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).