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

C15H10BrClF2O2 — CID 106266339

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
SMILESCOc1cc(Cl)ccc1C(=O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H10BrClF2O2/c1-21-14-6-8(17)2-3-9(14)13(20)7-10-12(18)5-4-11(16)15(10)19/h2-6H,7H2,1H3
InChIKeyQZQBITRMCMLUJN-UHFFFAOYSA-N
MW375.60 g/mol
LogP4.81
Rot. Bonds4

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

2-(3-bromo-2,6-difluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone (PubChem CID 106266339) has the molecular formula C15H10BrClF2O2 and a molecular weight of 375.60 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
PubChem CID106266339
Molecular FormulaC15H10BrClF2O2
Molecular Weight375.60 g/mol
Exact Mass373.95
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
SMILESCOc1cc(Cl)ccc1C(=O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H10BrClF2O2/c1-21-14-6-8(17)2-3-9(14)13(20)7-10-12(18)5-4-11(16)15(10)19/h2-6H,7H2,1H3
InChIKeyQZQBITRMCMLUJN-UHFFFAOYSA-N
XLogP4.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.60
LogP ≤ 54.81
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-(3-methoxy-4-pyridinyl)ethanone
CID 106267638
2-(3-bromo-2,6-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 106266357
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
CID 114968478
2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 106266059
1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone
CID 63526993
methyl 3-(4-chloro-2-methoxyphenyl)-3-oxopropanoate
CID 70925530
1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 114968625
2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-2-methylphenyl)ethanone
CID 106267406
1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone
CID 103394235
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone (CID 106266339) is 2-(3-bromo-2,6-difluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone is COc1cc(Cl)ccc1C(=O)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone?
The InChIKey is QZQBITRMCMLUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF2O2/c1-21-14-6-8(17)2-3-9(14)13(20)7-10-12(18)5-4-11(16)15(10)19/h2-6H,7H2,1H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone?
2-(3-bromo-2,6-difluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone has a molecular weight of 375.60 g/mol, XLogP of 4.81, 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-(4-chloro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 106266339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).