1,3-dibromo-2-(trifluoromethyl)benzene

C7H3Br2F3 — CID 56604724

IUPAC1,3-dibromo-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1c(Br)cccc1Br
InChIInChI=1S/C7H3Br2F3/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H
InChIKeyXNTHEEFOQJXUNF-UHFFFAOYSA-N
MW303.90 g/mol
LogP4.23
Rot. Bonds

About 1,3-dibromo-2-(trifluoromethyl)benzene

1,3-dibromo-2-(trifluoromethyl)benzene (PubChem CID 56604724) has the molecular formula C7H3Br2F3 and a molecular weight of 303.90 g/mol. Its IUPAC name is 1,3-dibromo-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3-dibromo-2-(trifluoromethyl)benzene
PubChem CID56604724
Molecular FormulaC7H3Br2F3
Molecular Weight303.90 g/mol
Exact Mass301.86
IUPAC Name1,3-dibromo-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1c(Br)cccc1Br
InChIInChI=1S/C7H3Br2F3/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H
InChIKeyXNTHEEFOQJXUNF-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.90
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-(trifluoromethyl)benzene?
The IUPAC name of 1,3-dibromo-2-(trifluoromethyl)benzene (CID 56604724) is 1,3-dibromo-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1,3-dibromo-2-(trifluoromethyl)benzene?
The canonical SMILES for 1,3-dibromo-2-(trifluoromethyl)benzene is FC(F)(F)c1c(Br)cccc1Br.
What is the InChIKey of 1,3-dibromo-2-(trifluoromethyl)benzene?
The InChIKey is XNTHEEFOQJXUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2F3/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H.
What are the key properties of 1,3-dibromo-2-(trifluoromethyl)benzene?
1,3-dibromo-2-(trifluoromethyl)benzene has a molecular weight of 303.90 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-(trifluoromethyl)benzene is sourced from PubChem (CID 56604724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).