1-bromo-2-(trifluoromethoxy)benzene

C7H4BrF3O — CID 2777266

IUPAC1-bromo-2-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccccc1Br
InChIInChI=1S/C7H4BrF3O/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H
InChIKeyITYCJCVRPBLODP-UHFFFAOYSA-N
MW241.01 g/mol
LogP3.35
Rot. Bonds1

About 1-bromo-2-(trifluoromethoxy)benzene

1-bromo-2-(trifluoromethoxy)benzene (PubChem CID 2777266) has the molecular formula C7H4BrF3O and a molecular weight of 241.01 g/mol. Its IUPAC name is 1-bromo-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-bromo-2-(trifluoromethoxy)benzene
PubChem CID2777266
Molecular FormulaC7H4BrF3O
Molecular Weight241.01 g/mol
Exact Mass239.94
IUPAC Name1-bromo-2-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccccc1Br
InChIInChI=1S/C7H4BrF3O/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H
InChIKeyITYCJCVRPBLODP-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.01
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-bromo-2-(trifluoromethoxy)benzene (CID 2777266) is 1-bromo-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-bromo-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-bromo-2-(trifluoromethoxy)benzene is FC(F)(F)Oc1ccccc1Br.
What is the InChIKey of 1-bromo-2-(trifluoromethoxy)benzene?
The InChIKey is ITYCJCVRPBLODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3O/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H.
What are the key properties of 1-bromo-2-(trifluoromethoxy)benzene?
1-bromo-2-(trifluoromethoxy)benzene has a molecular weight of 241.01 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 2777266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).