1-(2-bromo-3,4-difluorophenyl)-2-(2,6-dichlorophenyl)ethanone

C14H7BrCl2F2O — CID 107537915

IUPAC1-(2-bromo-3,4-difluorophenyl)-2-(2,6-dichlorophenyl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)c1ccc(F)c(F)c1Br
InChIInChI=1S/C14H7BrCl2F2O/c15-13-7(4-5-11(18)14(13)19)12(20)6-8-9(16)2-1-3-10(8)17/h1-5H,6H2
InChIKeyVZOARTBAJNEEEJ-UHFFFAOYSA-N
MW380.02 g/mol
LogP5.46
Rot. Bonds3

About 1-(2-bromo-3,4-difluorophenyl)-2-(2,6-dichlorophenyl)ethanone

1-(2-bromo-3,4-difluorophenyl)-2-(2,6-dichlorophenyl)ethanone (PubChem CID 107537915) has the molecular formula C14H7BrCl2F2O and a molecular weight of 380.02 g/mol. Its IUPAC name is 1-(2-bromo-3,4-difluorophenyl)-2-(2,6-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-3,4-difluorophenyl)-2-(2,6-dichlorophenyl)ethanone
PubChem CID107537915
Molecular FormulaC14H7BrCl2F2O
Molecular Weight380.02 g/mol
Exact Mass377.90
IUPAC Name1-(2-bromo-3,4-difluorophenyl)-2-(2,6-dichlorophenyl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)c1ccc(F)c(F)c1Br
InChIInChI=1S/C14H7BrCl2F2O/c15-13-7(4-5-11(18)14(13)19)12(20)6-8-9(16)2-1-3-10(8)17/h1-5H,6H2
InChIKeyVZOARTBAJNEEEJ-UHFFFAOYSA-N
XLogP5.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.02
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 107538110
1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 106644761
2-(2,6-dichlorophenyl)-1-(2-fluorophenyl)ethanone
CID 62500601
(2-bromo-3,4-difluorophenyl)-(2-chlorophenyl)methanone
CID 107537912
1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone
CID 107538119
1-(2-bromo-3,4-difluorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone
CID 107538217
2-bromo-3,4-difluorobenzoic acid
CID 22621204
1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 64914010
2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-2-methylphenyl)ethanone
CID 106267406
1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 63411340
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 107475686
1-(2-bromo-3,4-difluorophenyl)pent-4-yn-1-one
CID 107538046

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(2,6-dichlorophenyl)ethanone?
The IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(2,6-dichlorophenyl)ethanone (CID 107537915) is 1-(2-bromo-3,4-difluorophenyl)-2-(2,6-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-3,4-difluorophenyl)-2-(2,6-dichlorophenyl)ethanone?
The canonical SMILES for 1-(2-bromo-3,4-difluorophenyl)-2-(2,6-dichlorophenyl)ethanone is O=C(Cc1c(Cl)cccc1Cl)c1ccc(F)c(F)c1Br.
What is the InChIKey of 1-(2-bromo-3,4-difluorophenyl)-2-(2,6-dichlorophenyl)ethanone?
The InChIKey is VZOARTBAJNEEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2F2O/c15-13-7(4-5-11(18)14(13)19)12(20)6-8-9(16)2-1-3-10(8)17/h1-5H,6H2.
What are the key properties of 1-(2-bromo-3,4-difluorophenyl)-2-(2,6-dichlorophenyl)ethanone?
1-(2-bromo-3,4-difluorophenyl)-2-(2,6-dichlorophenyl)ethanone has a molecular weight of 380.02 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,4-difluorophenyl)-2-(2,6-dichlorophenyl)ethanone is sourced from PubChem (CID 107537915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).