1-bromo-3-chloro-5-(2-chloro-5-fluorophenoxy)benzene

C12H6BrCl2FO — CID 56833552

IUPAC1-bromo-3-chloro-5-(2-chloro-5-fluorophenoxy)benzene
SMILESFc1ccc(Cl)c(Oc2cc(Cl)cc(Br)c2)c1
InChIInChI=1S/C12H6BrCl2FO/c13-7-3-8(14)5-10(4-7)17-12-6-9(16)1-2-11(12)15/h1-6H
InChIKeyVOXOOPAOLNRJDW-UHFFFAOYSA-N
MW335.99 g/mol
LogP5.69
Rot. Bonds2

About 1-bromo-3-chloro-5-(2-chloro-5-fluorophenoxy)benzene

1-bromo-3-chloro-5-(2-chloro-5-fluorophenoxy)benzene (PubChem CID 56833552) has the molecular formula C12H6BrCl2FO and a molecular weight of 335.99 g/mol. Its IUPAC name is 1-bromo-3-chloro-5-(2-chloro-5-fluorophenoxy)benzene.

Molecular Properties

Compound Name1-bromo-3-chloro-5-(2-chloro-5-fluorophenoxy)benzene
PubChem CID56833552
Molecular FormulaC12H6BrCl2FO
Molecular Weight335.99 g/mol
Exact Mass333.90
IUPAC Name1-bromo-3-chloro-5-(2-chloro-5-fluorophenoxy)benzene
SMILESFc1ccc(Cl)c(Oc2cc(Cl)cc(Br)c2)c1
InChIInChI=1S/C12H6BrCl2FO/c13-7-3-8(14)5-10(4-7)17-12-6-9(16)1-2-11(12)15/h1-6H
InChIKeyVOXOOPAOLNRJDW-UHFFFAOYSA-N
XLogP5.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.99
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-Bromo-2-chloro-1-(4-fluorophenoxy)benzene
CID 19106804
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-5-(2-chloro-5-fluorophenoxy)benzene?
The IUPAC name of 1-bromo-3-chloro-5-(2-chloro-5-fluorophenoxy)benzene (CID 56833552) is 1-bromo-3-chloro-5-(2-chloro-5-fluorophenoxy)benzene.
What is the SMILES notation for 1-bromo-3-chloro-5-(2-chloro-5-fluorophenoxy)benzene?
The canonical SMILES for 1-bromo-3-chloro-5-(2-chloro-5-fluorophenoxy)benzene is Fc1ccc(Cl)c(Oc2cc(Cl)cc(Br)c2)c1.
What is the InChIKey of 1-bromo-3-chloro-5-(2-chloro-5-fluorophenoxy)benzene?
The InChIKey is VOXOOPAOLNRJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2FO/c13-7-3-8(14)5-10(4-7)17-12-6-9(16)1-2-11(12)15/h1-6H.
What are the key properties of 1-bromo-3-chloro-5-(2-chloro-5-fluorophenoxy)benzene?
1-bromo-3-chloro-5-(2-chloro-5-fluorophenoxy)benzene has a molecular weight of 335.99 g/mol, XLogP of 5.69, 2 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-(2-chloro-5-fluorophenoxy)benzene is sourced from PubChem (CID 56833552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).