4-bromo-1-[2-[2-(4-bromo-2-fluorophenyl)ethoxy]ethyl]-2-fluorobenzene

C16H14Br2F2O — CID 139632877

IUPAC4-bromo-1-[2-[2-(4-bromo-2-fluorophenyl)ethoxy]ethyl]-2-fluorobenzene
SMILESFc1cc(Br)ccc1CCOCCc1ccc(Br)cc1F
InChIInChI=1S/C16H14Br2F2O/c17-13-3-1-11(15(19)9-13)5-7-21-8-6-12-2-4-14(18)10-16(12)20/h1-4,9-10H,5-8H2
InChIKeyLRZSTQSWHLIJEP-UHFFFAOYSA-N
MW420.09 g/mol
LogP5.29
Rot. Bonds6

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

4-bromo-1-[2-[2-(4-bromo-2-fluorophenyl)ethoxy]ethyl]-2-fluorobenzene (PubChem CID 139632877) has the molecular formula C16H14Br2F2O and a molecular weight of 420.09 g/mol. Its IUPAC name is 4-bromo-1-[2-[2-(4-bromo-2-fluorophenyl)ethoxy]ethyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-[2-[2-(4-bromo-2-fluorophenyl)ethoxy]ethyl]-2-fluorobenzene
PubChem CID139632877
Molecular FormulaC16H14Br2F2O
Molecular Weight420.09 g/mol
Exact Mass417.94
IUPAC Name4-bromo-1-[2-[2-(4-bromo-2-fluorophenyl)ethoxy]ethyl]-2-fluorobenzene
SMILESFc1cc(Br)ccc1CCOCCc1ccc(Br)cc1F
InChIInChI=1S/C16H14Br2F2O/c17-13-3-1-11(15(19)9-13)5-7-21-8-6-12-2-4-14(18)10-16(12)20/h1-4,9-10H,5-8H2
InChIKeyLRZSTQSWHLIJEP-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.09
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[2-[2-(4-bromo-2-fluorophenyl)ethoxy]ethyl]-2-fluorobenzene?
The IUPAC name of 4-bromo-1-[2-[2-(4-bromo-2-fluorophenyl)ethoxy]ethyl]-2-fluorobenzene (CID 139632877) is 4-bromo-1-[2-[2-(4-bromo-2-fluorophenyl)ethoxy]ethyl]-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-[2-[2-(4-bromo-2-fluorophenyl)ethoxy]ethyl]-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-[2-[2-(4-bromo-2-fluorophenyl)ethoxy]ethyl]-2-fluorobenzene is Fc1cc(Br)ccc1CCOCCc1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-1-[2-[2-(4-bromo-2-fluorophenyl)ethoxy]ethyl]-2-fluorobenzene?
The InChIKey is LRZSTQSWHLIJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2F2O/c17-13-3-1-11(15(19)9-13)5-7-21-8-6-12-2-4-14(18)10-16(12)20/h1-4,9-10H,5-8H2.
What are the key properties of 4-bromo-1-[2-[2-(4-bromo-2-fluorophenyl)ethoxy]ethyl]-2-fluorobenzene?
4-bromo-1-[2-[2-(4-bromo-2-fluorophenyl)ethoxy]ethyl]-2-fluorobenzene has a molecular weight of 420.09 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[2-[2-(4-bromo-2-fluorophenyl)ethoxy]ethyl]-2-fluorobenzene is sourced from PubChem (CID 139632877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).