(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone

C14H9BrF2O2 — CID 43339651

IUPAC(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H9BrF2O2/c1-19-13-5-3-8(16)6-11(13)14(18)10-4-2-9(17)7-12(10)15/h2-7H,1H3
InChIKeyXIOHUXVOHITOMD-UHFFFAOYSA-N
MW327.12 g/mol
LogP3.97
Rot. Bonds3

About (2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone

(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 43339651) has the molecular formula C14H9BrF2O2 and a molecular weight of 327.12 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID43339651
Molecular FormulaC14H9BrF2O2
Molecular Weight327.12 g/mol
Exact Mass325.98
IUPAC Name(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H9BrF2O2/c1-19-13-5-3-8(16)6-11(13)14(18)10-4-2-9(17)7-12(10)15/h2-7H,1H3
InChIKeyXIOHUXVOHITOMD-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43629665
(2-bromo-5-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 104544915
(5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 56980668
(2-bromo-5-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60788123
(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339638
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62505963
(2,5-difluorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62504204
(2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone
CID 43160008
(2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 62865668
2-bromo-2,2-difluoro-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 131390571
(5-fluoro-2-methoxyphenyl)-(4-hydroxyphenyl)methanone
CID 82086032

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of (2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone (CID 43339651) is (2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone is COc1ccc(F)cc1C(=O)c1ccc(F)cc1Br.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is XIOHUXVOHITOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O2/c1-19-13-5-3-8(16)6-11(13)14(18)10-4-2-9(17)7-12(10)15/h2-7H,1H3.
What are the key properties of (2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone?
(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 327.12 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 43339651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).