1-bromo-3-chloro-5-methyl-2-(trifluoromethoxy)benzene

C8H5BrClF3O — CID 175636670

IUPAC1-bromo-3-chloro-5-methyl-2-(trifluoromethoxy)benzene
SMILESCc1cc(Cl)c(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C8H5BrClF3O/c1-4-2-5(9)7(6(10)3-4)14-8(11,12)13/h2-3H,1H3
InChIKeyOGRYWWYDLBNVNE-UHFFFAOYSA-N
MW289.48 g/mol
LogP4.31
Rot. Bonds1

About 1-bromo-3-chloro-5-methyl-2-(trifluoromethoxy)benzene

1-bromo-3-chloro-5-methyl-2-(trifluoromethoxy)benzene (PubChem CID 175636670) has the molecular formula C8H5BrClF3O and a molecular weight of 289.48 g/mol. Its IUPAC name is 1-bromo-3-chloro-5-methyl-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-bromo-3-chloro-5-methyl-2-(trifluoromethoxy)benzene
PubChem CID175636670
Molecular FormulaC8H5BrClF3O
Molecular Weight289.48 g/mol
Exact Mass287.92
IUPAC Name1-bromo-3-chloro-5-methyl-2-(trifluoromethoxy)benzene
SMILESCc1cc(Cl)c(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C8H5BrClF3O/c1-4-2-5(9)7(6(10)3-4)14-8(11,12)13/h2-3H,1H3
InChIKeyOGRYWWYDLBNVNE-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-5-methyl-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-bromo-3-chloro-5-methyl-2-(trifluoromethoxy)benzene (CID 175636670) is 1-bromo-3-chloro-5-methyl-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-bromo-3-chloro-5-methyl-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-bromo-3-chloro-5-methyl-2-(trifluoromethoxy)benzene is Cc1cc(Cl)c(OC(F)(F)F)c(Br)c1.
What is the InChIKey of 1-bromo-3-chloro-5-methyl-2-(trifluoromethoxy)benzene?
The InChIKey is OGRYWWYDLBNVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF3O/c1-4-2-5(9)7(6(10)3-4)14-8(11,12)13/h2-3H,1H3.
What are the key properties of 1-bromo-3-chloro-5-methyl-2-(trifluoromethoxy)benzene?
1-bromo-3-chloro-5-methyl-2-(trifluoromethoxy)benzene has a molecular weight of 289.48 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-5-methyl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 175636670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).