1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone

C15H11BrF2O2 — CID 114966188

IUPAC1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cccc(F)c2Br)cc1F
InChIInChI=1S/C15H11BrF2O2/c1-20-14-6-5-9(7-12(14)18)8-13(19)10-3-2-4-11(17)15(10)16/h2-7H,8H2,1H3
InChIKeyZVCSIKGTTXNMNJ-UHFFFAOYSA-N
MW341.15 g/mol
LogP4.16
Rot. Bonds4

About 1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone

1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 114966188) has the molecular formula C15H11BrF2O2 and a molecular weight of 341.15 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID114966188
Molecular FormulaC15H11BrF2O2
Molecular Weight341.15 g/mol
Exact Mass339.99
IUPAC Name1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cccc(F)c2Br)cc1F
InChIInChI=1S/C15H11BrF2O2/c1-20-14-6-5-9(7-12(14)18)8-13(19)10-3-2-4-11(17)15(10)16/h2-7H,8H2,1H3
InChIKeyZVCSIKGTTXNMNJ-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 107538015
1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 105086081
1-(2-chloro-6-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966192
1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 107538191
1-(4-chloro-2,5-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966239
1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62829143
1-(2-bromo-3-methylphenyl)-2-(3,4-difluorophenyl)ethanone
CID 114023890
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 64713786
2-(3-fluoro-4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63553614
1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966135
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
1-(2-amino-3-methoxyphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 107469003

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone (CID 114966188) is 1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone is COc1ccc(CC(=O)c2cccc(F)c2Br)cc1F.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is ZVCSIKGTTXNMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O2/c1-20-14-6-5-9(7-12(14)18)8-13(19)10-3-2-4-11(17)15(10)16/h2-7H,8H2,1H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 341.15 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 114966188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).