2-bromo-4-[(3-bromo-4-fluorophenyl)methoxymethyl]-1-fluorobenzene

C14H10Br2F2O — CID 56628966

IUPAC2-bromo-4-[(3-bromo-4-fluorophenyl)methoxymethyl]-1-fluorobenzene
SMILESFc1ccc(COCc2ccc(F)c(Br)c2)cc1Br
InChIInChI=1S/C14H10Br2F2O/c15-11-5-9(1-3-13(11)17)7-19-8-10-2-4-14(18)12(16)6-10/h1-6H,7-8H2
InChIKeyRHBWFQLSCSSDBR-UHFFFAOYSA-N
MW392.04 g/mol
LogP5.21
Rot. Bonds4

About 2-bromo-4-[(3-bromo-4-fluorophenyl)methoxymethyl]-1-fluorobenzene

2-bromo-4-[(3-bromo-4-fluorophenyl)methoxymethyl]-1-fluorobenzene (PubChem CID 56628966) has the molecular formula C14H10Br2F2O and a molecular weight of 392.04 g/mol. Its IUPAC name is 2-bromo-4-[(3-bromo-4-fluorophenyl)methoxymethyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-[(3-bromo-4-fluorophenyl)methoxymethyl]-1-fluorobenzene
PubChem CID56628966
Molecular FormulaC14H10Br2F2O
Molecular Weight392.04 g/mol
Exact Mass389.91
IUPAC Name2-bromo-4-[(3-bromo-4-fluorophenyl)methoxymethyl]-1-fluorobenzene
SMILESFc1ccc(COCc2ccc(F)c(Br)c2)cc1Br
InChIInChI=1S/C14H10Br2F2O/c15-11-5-9(1-3-13(11)17)7-19-8-10-2-4-14(18)12(16)6-10/h1-6H,7-8H2
InChIKeyRHBWFQLSCSSDBR-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.04
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-4-[(3-bromo-4-fluorophenyl)methoxymethyl]-1-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(3-bromo-4-fluorophenyl)methoxymethyl]-1-fluorobenzene?
The IUPAC name of 2-bromo-4-[(3-bromo-4-fluorophenyl)methoxymethyl]-1-fluorobenzene (CID 56628966) is 2-bromo-4-[(3-bromo-4-fluorophenyl)methoxymethyl]-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-[(3-bromo-4-fluorophenyl)methoxymethyl]-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-[(3-bromo-4-fluorophenyl)methoxymethyl]-1-fluorobenzene is Fc1ccc(COCc2ccc(F)c(Br)c2)cc1Br.
What is the InChIKey of 2-bromo-4-[(3-bromo-4-fluorophenyl)methoxymethyl]-1-fluorobenzene?
The InChIKey is RHBWFQLSCSSDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2F2O/c15-11-5-9(1-3-13(11)17)7-19-8-10-2-4-14(18)12(16)6-10/h1-6H,7-8H2.
What are the key properties of 2-bromo-4-[(3-bromo-4-fluorophenyl)methoxymethyl]-1-fluorobenzene?
2-bromo-4-[(3-bromo-4-fluorophenyl)methoxymethyl]-1-fluorobenzene has a molecular weight of 392.04 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(3-bromo-4-fluorophenyl)methoxymethyl]-1-fluorobenzene is sourced from PubChem (CID 56628966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).