4-bromo-1-(4-fluorophenyl)-2-methylbenzene

C13H10BrF — CID 67156128

IUPAC4-bromo-1-(4-fluorophenyl)-2-methylbenzene
SMILESCc1cc(Br)ccc1-c1ccc(F)cc1
InChIInChI=1S/C13H10BrF/c1-9-8-11(14)4-7-13(9)10-2-5-12(15)6-3-10/h2-8H,1H3
InChIKeyIQNLJPMXWPRJBP-UHFFFAOYSA-N
MW265.13 g/mol
LogP4.56
Rot. Bonds1

About 4-bromo-1-(4-fluorophenyl)-2-methylbenzene

4-bromo-1-(4-fluorophenyl)-2-methylbenzene (PubChem CID 67156128) has the molecular formula C13H10BrF and a molecular weight of 265.13 g/mol. Its IUPAC name is 4-bromo-1-(4-fluorophenyl)-2-methylbenzene.

Molecular Properties

Compound Name4-bromo-1-(4-fluorophenyl)-2-methylbenzene
PubChem CID67156128
Molecular FormulaC13H10BrF
Molecular Weight265.13 g/mol
Exact Mass263.99
IUPAC Name4-bromo-1-(4-fluorophenyl)-2-methylbenzene
SMILESCc1cc(Br)ccc1-c1ccc(F)cc1
InChIInChI=1S/C13H10BrF/c1-9-8-11(14)4-7-13(9)10-2-5-12(15)6-3-10/h2-8H,1H3
InChIKeyIQNLJPMXWPRJBP-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-fluorophenyl)-2-methylbenzene?
The IUPAC name of 4-bromo-1-(4-fluorophenyl)-2-methylbenzene (CID 67156128) is 4-bromo-1-(4-fluorophenyl)-2-methylbenzene.
What is the SMILES notation for 4-bromo-1-(4-fluorophenyl)-2-methylbenzene?
The canonical SMILES for 4-bromo-1-(4-fluorophenyl)-2-methylbenzene is Cc1cc(Br)ccc1-c1ccc(F)cc1.
What is the InChIKey of 4-bromo-1-(4-fluorophenyl)-2-methylbenzene?
The InChIKey is IQNLJPMXWPRJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF/c1-9-8-11(14)4-7-13(9)10-2-5-12(15)6-3-10/h2-8H,1H3.
What are the key properties of 4-bromo-1-(4-fluorophenyl)-2-methylbenzene?
4-bromo-1-(4-fluorophenyl)-2-methylbenzene has a molecular weight of 265.13 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-fluorophenyl)-2-methylbenzene is sourced from PubChem (CID 67156128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).