4-bromo-1-[2-(4-chlorophenoxy)ethyl]-2-fluorobenzene

C14H11BrClFO — CID 67329083

IUPAC4-bromo-1-[2-(4-chlorophenoxy)ethyl]-2-fluorobenzene
SMILESFc1cc(Br)ccc1CCOc1ccc(Cl)cc1
InChIInChI=1S/C14H11BrClFO/c15-11-2-1-10(14(17)9-11)7-8-18-13-5-3-12(16)4-6-13/h1-6,9H,7-8H2
InChIKeyBJEPQPXUABWKCG-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.86
Rot. Bonds4

About 4-bromo-1-[2-(4-chlorophenoxy)ethyl]-2-fluorobenzene

4-bromo-1-[2-(4-chlorophenoxy)ethyl]-2-fluorobenzene (PubChem CID 67329083) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is 4-bromo-1-[2-(4-chlorophenoxy)ethyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-[2-(4-chlorophenoxy)ethyl]-2-fluorobenzene
PubChem CID67329083
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name4-bromo-1-[2-(4-chlorophenoxy)ethyl]-2-fluorobenzene
SMILESFc1cc(Br)ccc1CCOc1ccc(Cl)cc1
InChIInChI=1S/C14H11BrClFO/c15-11-2-1-10(14(17)9-11)7-8-18-13-5-3-12(16)4-6-13/h1-6,9H,7-8H2
InChIKeyBJEPQPXUABWKCG-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[2-(4-chlorophenoxy)ethyl]-2-fluorobenzene?
The IUPAC name of 4-bromo-1-[2-(4-chlorophenoxy)ethyl]-2-fluorobenzene (CID 67329083) is 4-bromo-1-[2-(4-chlorophenoxy)ethyl]-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-[2-(4-chlorophenoxy)ethyl]-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-[2-(4-chlorophenoxy)ethyl]-2-fluorobenzene is Fc1cc(Br)ccc1CCOc1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-1-[2-(4-chlorophenoxy)ethyl]-2-fluorobenzene?
The InChIKey is BJEPQPXUABWKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c15-11-2-1-10(14(17)9-11)7-8-18-13-5-3-12(16)4-6-13/h1-6,9H,7-8H2.
What are the key properties of 4-bromo-1-[2-(4-chlorophenoxy)ethyl]-2-fluorobenzene?
4-bromo-1-[2-(4-chlorophenoxy)ethyl]-2-fluorobenzene has a molecular weight of 329.60 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[2-(4-chlorophenoxy)ethyl]-2-fluorobenzene is sourced from PubChem (CID 67329083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).