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

C12H7BrClFO — CID 19106804

IUPAC4-bromo-2-chloro-1-(4-fluorophenoxy)benzene
SMILESFc1ccc(Oc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C12H7BrClFO/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7H
InChIKeyFDMBJIGZKKPLEQ-UHFFFAOYSA-N
MW301.54 g/mol
LogP5.03
Rot. Bonds2

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

4-bromo-2-chloro-1-(4-fluorophenoxy)benzene (PubChem CID 19106804) has the molecular formula C12H7BrClFO and a molecular weight of 301.54 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-(4-fluorophenoxy)benzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-(4-fluorophenoxy)benzene
PubChem CID19106804
Molecular FormulaC12H7BrClFO
Molecular Weight301.54 g/mol
Exact Mass299.94
IUPAC Name4-bromo-2-chloro-1-(4-fluorophenoxy)benzene
SMILESFc1ccc(Oc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C12H7BrClFO/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7H
InChIKeyFDMBJIGZKKPLEQ-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.54
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-(4-fluorophenoxy)benzene?
The IUPAC name of 4-bromo-2-chloro-1-(4-fluorophenoxy)benzene (CID 19106804) is 4-bromo-2-chloro-1-(4-fluorophenoxy)benzene.
What is the SMILES notation for 4-bromo-2-chloro-1-(4-fluorophenoxy)benzene?
The canonical SMILES for 4-bromo-2-chloro-1-(4-fluorophenoxy)benzene is Fc1ccc(Oc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 4-bromo-2-chloro-1-(4-fluorophenoxy)benzene?
The InChIKey is FDMBJIGZKKPLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFO/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7H.
What are the key properties of 4-bromo-2-chloro-1-(4-fluorophenoxy)benzene?
4-bromo-2-chloro-1-(4-fluorophenoxy)benzene has a molecular weight of 301.54 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-(4-fluorophenoxy)benzene is sourced from PubChem (CID 19106804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).