1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone

C14H8BrCl2FO — CID 106644761

IUPAC1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)c1cccc(Br)c1F
InChIInChI=1S/C14H8BrCl2FO/c15-10-4-1-3-8(14(10)18)13(19)7-9-11(16)5-2-6-12(9)17/h1-6H,7H2
InChIKeyJICDATGUBOTFMB-UHFFFAOYSA-N
MW362.03 g/mol
LogP5.32
Rot. Bonds3

About 1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone

1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone (PubChem CID 106644761) has the molecular formula C14H8BrCl2FO and a molecular weight of 362.03 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone
PubChem CID106644761
Molecular FormulaC14H8BrCl2FO
Molecular Weight362.03 g/mol
Exact Mass359.91
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)c1cccc(Br)c1F
InChIInChI=1S/C14H8BrCl2FO/c15-10-4-1-3-8(14(10)18)13(19)7-9-11(16)5-2-6-12(9)17/h1-6H,7H2
InChIKeyJICDATGUBOTFMB-UHFFFAOYSA-N
XLogP5.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.03
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106267622
1-(2-bromo-3,4-difluorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 107537915
2-(2,6-dichlorophenyl)-1-(2-fluorophenyl)ethanone
CID 62500601
2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-2-methylphenyl)ethanone
CID 106267406
1-(2,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 114966304
3-amino-1-(3-bromo-2-fluorophenyl)propan-1-one
CID 106647099
2-(2-bromo-6-chlorophenyl)acetic acid
CID 53446365
3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide
CID 107951647
1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-one
CID 89480353
2-(2,6-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 55187917
1-(3-bromo-2-fluorophenyl)hex-5-yn-1-one
CID 107957339
2-(5-bromo-2-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 104798934

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone (CID 106644761) is 1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone is O=C(Cc1c(Cl)cccc1Cl)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone?
The InChIKey is JICDATGUBOTFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2FO/c15-10-4-1-3-8(14(10)18)13(19)7-9-11(16)5-2-6-12(9)17/h1-6H,7H2.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone?
1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone has a molecular weight of 362.03 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone is sourced from PubChem (CID 106644761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).