2-bromo-1,3-dichloro-5-(trifluoromethoxy)benzene

C7H2BrCl2F3O — CID 18947696

IUPAC2-bromo-1,3-dichloro-5-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(Cl)c(Br)c(Cl)c1
InChIInChI=1S/C7H2BrCl2F3O/c8-6-4(9)1-3(2-5(6)10)14-7(11,12)13/h1-2H
InChIKeyCAAJZKZQEJSRJO-UHFFFAOYSA-N
MW309.90 g/mol
LogP4.65
Rot. Bonds1

About 2-bromo-1,3-dichloro-5-(trifluoromethoxy)benzene

2-bromo-1,3-dichloro-5-(trifluoromethoxy)benzene (PubChem CID 18947696) has the molecular formula C7H2BrCl2F3O and a molecular weight of 309.90 g/mol. Its IUPAC name is 2-bromo-1,3-dichloro-5-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-bromo-1,3-dichloro-5-(trifluoromethoxy)benzene
PubChem CID18947696
Molecular FormulaC7H2BrCl2F3O
Molecular Weight309.90 g/mol
Exact Mass307.86
IUPAC Name2-bromo-1,3-dichloro-5-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(Cl)c(Br)c(Cl)c1
InChIInChI=1S/C7H2BrCl2F3O/c8-6-4(9)1-3(2-5(6)10)14-7(11,12)13/h1-2H
InChIKeyCAAJZKZQEJSRJO-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.90
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-dichloro-5-(trifluoromethoxy)benzene?
The IUPAC name of 2-bromo-1,3-dichloro-5-(trifluoromethoxy)benzene (CID 18947696) is 2-bromo-1,3-dichloro-5-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-bromo-1,3-dichloro-5-(trifluoromethoxy)benzene?
The canonical SMILES for 2-bromo-1,3-dichloro-5-(trifluoromethoxy)benzene is FC(F)(F)Oc1cc(Cl)c(Br)c(Cl)c1.
What is the InChIKey of 2-bromo-1,3-dichloro-5-(trifluoromethoxy)benzene?
The InChIKey is CAAJZKZQEJSRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrCl2F3O/c8-6-4(9)1-3(2-5(6)10)14-7(11,12)13/h1-2H.
What are the key properties of 2-bromo-1,3-dichloro-5-(trifluoromethoxy)benzene?
2-bromo-1,3-dichloro-5-(trifluoromethoxy)benzene has a molecular weight of 309.90 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-dichloro-5-(trifluoromethoxy)benzene is sourced from PubChem (CID 18947696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).