1-bromo-4-[[(4-bromophenyl)-(2-fluorophenyl)methoxy]-(2-fluorophenyl)methyl]benzene

C26H18Br2F2O — CID 66656297

IUPAC1-bromo-4-[[(4-bromophenyl)-(2-fluorophenyl)methoxy]-(2-fluorophenyl)methyl]benzene
SMILESFc1ccccc1C(OC(c1ccc(Br)cc1)c1ccccc1F)c1ccc(Br)cc1
InChIInChI=1S/C26H18Br2F2O/c27-19-13-9-17(10-14-19)25(21-5-1-3-7-23(21)29)31-26(18-11-15-20(28)16-12-18)22-6-2-4-8-24(22)30/h1-16,25-26H
InChIKeyBMZFBZUXNFYBTB-UHFFFAOYSA-N
MW544.23 g/mol
LogP8.39
Rot. Bonds6

About 1-bromo-4-[[(4-bromophenyl)-(2-fluorophenyl)methoxy]-(2-fluorophenyl)methyl]benzene

1-bromo-4-[[(4-bromophenyl)-(2-fluorophenyl)methoxy]-(2-fluorophenyl)methyl]benzene (PubChem CID 66656297) has the molecular formula C26H18Br2F2O and a molecular weight of 544.23 g/mol. Its IUPAC name is 1-bromo-4-[[(4-bromophenyl)-(2-fluorophenyl)methoxy]-(2-fluorophenyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[[(4-bromophenyl)-(2-fluorophenyl)methoxy]-(2-fluorophenyl)methyl]benzene
PubChem CID66656297
Molecular FormulaC26H18Br2F2O
Molecular Weight544.23 g/mol
Exact Mass541.97
IUPAC Name1-bromo-4-[[(4-bromophenyl)-(2-fluorophenyl)methoxy]-(2-fluorophenyl)methyl]benzene
SMILESFc1ccccc1C(OC(c1ccc(Br)cc1)c1ccccc1F)c1ccc(Br)cc1
InChIInChI=1S/C26H18Br2F2O/c27-19-13-9-17(10-14-19)25(21-5-1-3-7-23(21)29)31-26(18-11-15-20(28)16-12-18)22-6-2-4-8-24(22)30/h1-16,25-26H
InChIKeyBMZFBZUXNFYBTB-UHFFFAOYSA-N
XLogP8.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.23
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bromo-4-[[(4-bromophenyl)-(2-fluorophenyl)methoxy]-(2-fluorophenyl)methyl]benzene 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 1-bromo-4-[[(4-bromophenyl)-(2-fluorophenyl)methoxy]-(2-fluorophenyl)methyl]benzene?
The IUPAC name of 1-bromo-4-[[(4-bromophenyl)-(2-fluorophenyl)methoxy]-(2-fluorophenyl)methyl]benzene (CID 66656297) is 1-bromo-4-[[(4-bromophenyl)-(2-fluorophenyl)methoxy]-(2-fluorophenyl)methyl]benzene.
What is the SMILES notation for 1-bromo-4-[[(4-bromophenyl)-(2-fluorophenyl)methoxy]-(2-fluorophenyl)methyl]benzene?
The canonical SMILES for 1-bromo-4-[[(4-bromophenyl)-(2-fluorophenyl)methoxy]-(2-fluorophenyl)methyl]benzene is Fc1ccccc1C(OC(c1ccc(Br)cc1)c1ccccc1F)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[[(4-bromophenyl)-(2-fluorophenyl)methoxy]-(2-fluorophenyl)methyl]benzene?
The InChIKey is BMZFBZUXNFYBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Br2F2O/c27-19-13-9-17(10-14-19)25(21-5-1-3-7-23(21)29)31-26(18-11-15-20(28)16-12-18)22-6-2-4-8-24(22)30/h1-16,25-26H.
What are the key properties of 1-bromo-4-[[(4-bromophenyl)-(2-fluorophenyl)methoxy]-(2-fluorophenyl)methyl]benzene?
1-bromo-4-[[(4-bromophenyl)-(2-fluorophenyl)methoxy]-(2-fluorophenyl)methyl]benzene has a molecular weight of 544.23 g/mol, XLogP of 8.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[[(4-bromophenyl)-(2-fluorophenyl)methoxy]-(2-fluorophenyl)methyl]benzene is sourced from PubChem (CID 66656297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).