1-bromo-2-(2,4-difluorophenyl)-3-fluoro-4-methoxybenzene

C13H8BrF3O — CID 118898127

IUPAC1-bromo-2-(2,4-difluorophenyl)-3-fluoro-4-methoxybenzene
SMILESCOc1ccc(Br)c(-c2ccc(F)cc2F)c1F
InChIInChI=1S/C13H8BrF3O/c1-18-11-5-4-9(14)12(13(11)17)8-3-2-7(15)6-10(8)16/h2-6H,1H3
InChIKeyMDENYYAUFHWJOP-UHFFFAOYSA-N
MW317.10 g/mol
LogP4.54
Rot. Bonds2

About 1-bromo-2-(2,4-difluorophenyl)-3-fluoro-4-methoxybenzene

1-bromo-2-(2,4-difluorophenyl)-3-fluoro-4-methoxybenzene (PubChem CID 118898127) has the molecular formula C13H8BrF3O and a molecular weight of 317.10 g/mol. Its IUPAC name is 1-bromo-2-(2,4-difluorophenyl)-3-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-2-(2,4-difluorophenyl)-3-fluoro-4-methoxybenzene
PubChem CID118898127
Molecular FormulaC13H8BrF3O
Molecular Weight317.10 g/mol
Exact Mass315.97
IUPAC Name1-bromo-2-(2,4-difluorophenyl)-3-fluoro-4-methoxybenzene
SMILESCOc1ccc(Br)c(-c2ccc(F)cc2F)c1F
InChIInChI=1S/C13H8BrF3O/c1-18-11-5-4-9(14)12(13(11)17)8-3-2-7(15)6-10(8)16/h2-6H,1H3
InChIKeyMDENYYAUFHWJOP-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.10
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 104544915
6-bromo-2-fluoro-3-methoxybenzenethiol
CID 171005747
2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone
CID 63084863
1-bromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene
CID 103396203
2-(2,4-difluorophenyl)-3-methoxypyridine
CID 90122660
1-bromo-3-tert-butyl-5-(2,4-difluorophenyl)-2-methoxybenzene
CID 66833823
2,3,4-tribromo-5-(2,6-difluoro-3-methoxyphenyl)-1H-pyrrole
CID 42613053
1-bromo-4-[bromo-(4-methoxy-3-methylphenyl)methyl]-2-fluorobenzene
CID 63442700
(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339651
4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene
CID 67003117
1-bromo-4-[(E)-2-(4-fluorophenyl)ethenyl]-2-methoxybenzene
CID 130290825
1-(3-bromo-4-methoxyphenyl)-2-(2,4-difluorophenoxy)ethanone
CID 43218884

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2,4-difluorophenyl)-3-fluoro-4-methoxybenzene?
The IUPAC name of 1-bromo-2-(2,4-difluorophenyl)-3-fluoro-4-methoxybenzene (CID 118898127) is 1-bromo-2-(2,4-difluorophenyl)-3-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-bromo-2-(2,4-difluorophenyl)-3-fluoro-4-methoxybenzene?
The canonical SMILES for 1-bromo-2-(2,4-difluorophenyl)-3-fluoro-4-methoxybenzene is COc1ccc(Br)c(-c2ccc(F)cc2F)c1F.
What is the InChIKey of 1-bromo-2-(2,4-difluorophenyl)-3-fluoro-4-methoxybenzene?
The InChIKey is MDENYYAUFHWJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3O/c1-18-11-5-4-9(14)12(13(11)17)8-3-2-7(15)6-10(8)16/h2-6H,1H3.
What are the key properties of 1-bromo-2-(2,4-difluorophenyl)-3-fluoro-4-methoxybenzene?
1-bromo-2-(2,4-difluorophenyl)-3-fluoro-4-methoxybenzene has a molecular weight of 317.10 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2,4-difluorophenyl)-3-fluoro-4-methoxybenzene is sourced from PubChem (CID 118898127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).