4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene

C13H10BrFO — CID 67003117

IUPAC4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene
SMILESCOc1ccccc1-c1ccc(Br)cc1F
InChIInChI=1S/C13H10BrFO/c1-16-13-5-3-2-4-11(13)10-7-6-9(14)8-12(10)15/h2-8H,1H3
InChIKeyCJWMMTKBEABPDH-UHFFFAOYSA-N
MW281.12 g/mol
LogP4.26
Rot. Bonds2

About 4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene

4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene (PubChem CID 67003117) has the molecular formula C13H10BrFO and a molecular weight of 281.12 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene
PubChem CID67003117
Molecular FormulaC13H10BrFO
Molecular Weight281.12 g/mol
Exact Mass279.99
IUPAC Name4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene
SMILESCOc1ccccc1-c1ccc(Br)cc1F
InChIInChI=1S/C13H10BrFO/c1-16-13-5-3-2-4-11(13)10-7-6-9(14)8-12(10)15/h2-8H,1H3
InChIKeyCJWMMTKBEABPDH-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene?
The IUPAC name of 4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene (CID 67003117) is 4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene?
The canonical SMILES for 4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene is COc1ccccc1-c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene?
The InChIKey is CJWMMTKBEABPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFO/c1-16-13-5-3-2-4-11(13)10-7-6-9(14)8-12(10)15/h2-8H,1H3.
What are the key properties of 4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene?
4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene has a molecular weight of 281.12 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene is sourced from PubChem (CID 67003117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).