2-bromo-1-[2-bromo-4-(fluoromethyl)phenoxy]-4-(fluoromethyl)benzene

C14H10Br2F2O — CID 57150688

IUPAC2-bromo-1-[2-bromo-4-(fluoromethyl)phenoxy]-4-(fluoromethyl)benzene
SMILESFCc1ccc(Oc2ccc(CF)cc2Br)c(Br)c1
InChIInChI=1S/C14H10Br2F2O/c15-11-5-9(7-17)1-3-13(11)19-14-4-2-10(8-18)6-12(14)16/h1-6H,7-8H2
InChIKeyWOCSSGLAPPUSBH-UHFFFAOYSA-N
MW392.04 g/mol
LogP5.94
Rot. Bonds4

About 2-bromo-1-[2-bromo-4-(fluoromethyl)phenoxy]-4-(fluoromethyl)benzene

2-bromo-1-[2-bromo-4-(fluoromethyl)phenoxy]-4-(fluoromethyl)benzene (PubChem CID 57150688) has the molecular formula C14H10Br2F2O and a molecular weight of 392.04 g/mol. Its IUPAC name is 2-bromo-1-[2-bromo-4-(fluoromethyl)phenoxy]-4-(fluoromethyl)benzene.

Molecular Properties

Compound Name2-bromo-1-[2-bromo-4-(fluoromethyl)phenoxy]-4-(fluoromethyl)benzene
PubChem CID57150688
Molecular FormulaC14H10Br2F2O
Molecular Weight392.04 g/mol
Exact Mass389.91
IUPAC Name2-bromo-1-[2-bromo-4-(fluoromethyl)phenoxy]-4-(fluoromethyl)benzene
SMILESFCc1ccc(Oc2ccc(CF)cc2Br)c(Br)c1
InChIInChI=1S/C14H10Br2F2O/c15-11-5-9(7-17)1-3-13(11)19-14-4-2-10(8-18)6-12(14)16/h1-6H,7-8H2
InChIKeyWOCSSGLAPPUSBH-UHFFFAOYSA-N
XLogP5.94
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 ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-1-[2-bromo-4-(fluoromethyl)phenoxy]-4-(fluoromethyl)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 2-bromo-1-[2-bromo-4-(fluoromethyl)phenoxy]-4-(fluoromethyl)benzene?
The IUPAC name of 2-bromo-1-[2-bromo-4-(fluoromethyl)phenoxy]-4-(fluoromethyl)benzene (CID 57150688) is 2-bromo-1-[2-bromo-4-(fluoromethyl)phenoxy]-4-(fluoromethyl)benzene.
What is the SMILES notation for 2-bromo-1-[2-bromo-4-(fluoromethyl)phenoxy]-4-(fluoromethyl)benzene?
The canonical SMILES for 2-bromo-1-[2-bromo-4-(fluoromethyl)phenoxy]-4-(fluoromethyl)benzene is FCc1ccc(Oc2ccc(CF)cc2Br)c(Br)c1.
What is the InChIKey of 2-bromo-1-[2-bromo-4-(fluoromethyl)phenoxy]-4-(fluoromethyl)benzene?
The InChIKey is WOCSSGLAPPUSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2F2O/c15-11-5-9(7-17)1-3-13(11)19-14-4-2-10(8-18)6-12(14)16/h1-6H,7-8H2.
What are the key properties of 2-bromo-1-[2-bromo-4-(fluoromethyl)phenoxy]-4-(fluoromethyl)benzene?
2-bromo-1-[2-bromo-4-(fluoromethyl)phenoxy]-4-(fluoromethyl)benzene has a molecular weight of 392.04 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-bromo-4-(fluoromethyl)phenoxy]-4-(fluoromethyl)benzene is sourced from PubChem (CID 57150688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).