1-bromo-2-chloro-4-(trifluoromethoxy)benzene

C7H3BrClF3O — CID 53414034

IUPAC1-bromo-2-chloro-4-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccc(Br)c(Cl)c1
InChIInChI=1S/C7H3BrClF3O/c8-5-2-1-4(3-6(5)9)13-7(10,11)12/h1-3H
InChIKeyRRRFVMOJVRRZMM-UHFFFAOYSA-N
MW275.45 g/mol
LogP4.00
Rot. Bonds1

About 1-bromo-2-chloro-4-(trifluoromethoxy)benzene

1-bromo-2-chloro-4-(trifluoromethoxy)benzene (PubChem CID 53414034) has the molecular formula C7H3BrClF3O and a molecular weight of 275.45 g/mol. Its IUPAC name is 1-bromo-2-chloro-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-bromo-2-chloro-4-(trifluoromethoxy)benzene
PubChem CID53414034
Molecular FormulaC7H3BrClF3O
Molecular Weight275.45 g/mol
Exact Mass273.90
IUPAC Name1-bromo-2-chloro-4-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccc(Br)c(Cl)c1
InChIInChI=1S/C7H3BrClF3O/c8-5-2-1-4(3-6(5)9)13-7(10,11)12/h1-3H
InChIKeyRRRFVMOJVRRZMM-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-bromo-2-chloro-4-(trifluoromethoxy)benzene (CID 53414034) is 1-bromo-2-chloro-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-bromo-2-chloro-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-bromo-2-chloro-4-(trifluoromethoxy)benzene is FC(F)(F)Oc1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-bromo-2-chloro-4-(trifluoromethoxy)benzene?
The InChIKey is RRRFVMOJVRRZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF3O/c8-5-2-1-4(3-6(5)9)13-7(10,11)12/h1-3H.
What are the key properties of 1-bromo-2-chloro-4-(trifluoromethoxy)benzene?
1-bromo-2-chloro-4-(trifluoromethoxy)benzene has a molecular weight of 275.45 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 53414034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).