5-(bromomethyl)-2-[2-(3-bromophenoxy)ethoxy]-1,3-difluorobenzene

C15H12Br2F2O2 — CID 79881360

IUPAC5-(bromomethyl)-2-[2-(3-bromophenoxy)ethoxy]-1,3-difluorobenzene
SMILESFc1cc(CBr)cc(F)c1OCCOc1cccc(Br)c1
InChIInChI=1S/C15H12Br2F2O2/c16-9-10-6-13(18)15(14(19)7-10)21-5-4-20-12-3-1-2-11(17)8-12/h1-3,6-8H,4-5,9H2
InChIKeyAFLMYPGIVREIEO-UHFFFAOYSA-N
MW422.06 g/mol
LogP5.08
Rot. Bonds6

About 5-(bromomethyl)-2-[2-(3-bromophenoxy)ethoxy]-1,3-difluorobenzene

5-(bromomethyl)-2-[2-(3-bromophenoxy)ethoxy]-1,3-difluorobenzene (PubChem CID 79881360) has the molecular formula C15H12Br2F2O2 and a molecular weight of 422.06 g/mol. Its IUPAC name is 5-(bromomethyl)-2-[2-(3-bromophenoxy)ethoxy]-1,3-difluorobenzene.

Molecular Properties

Compound Name5-(bromomethyl)-2-[2-(3-bromophenoxy)ethoxy]-1,3-difluorobenzene
PubChem CID79881360
Molecular FormulaC15H12Br2F2O2
Molecular Weight422.06 g/mol
Exact Mass419.92
IUPAC Name5-(bromomethyl)-2-[2-(3-bromophenoxy)ethoxy]-1,3-difluorobenzene
SMILESFc1cc(CBr)cc(F)c1OCCOc1cccc(Br)c1
InChIInChI=1S/C15H12Br2F2O2/c16-9-10-6-13(18)15(14(19)7-10)21-5-4-20-12-3-1-2-11(17)8-12/h1-3,6-8H,4-5,9H2
InChIKeyAFLMYPGIVREIEO-UHFFFAOYSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.06
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(bromomethyl)-2-[2-(3-bromophenoxy)ethoxy]-1,3-difluorobenzene with MolForge

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

Launch Full Analysis

Related Compounds

4-(bromomethyl)-1-[2-(3-bromophenoxy)ethoxy]-2-methoxybenzene
CID 63535512
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene
CID 55224568
2-[2-(4-bromophenoxy)ethoxy]-5-(chloromethyl)-1,3-difluorobenzene
CID 79881325
2-[2-(3-bromophenoxy)ethoxy]-1-fluoro-4-methylbenzene
CID 64854074
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol
CID 60627615
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
2-[4-(3-bromophenoxy)-3,5-difluorophenyl]ethanamine
CID 63802444
4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene
CID 43089834
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene
CID 63987057

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-[2-(3-bromophenoxy)ethoxy]-1,3-difluorobenzene?
The IUPAC name of 5-(bromomethyl)-2-[2-(3-bromophenoxy)ethoxy]-1,3-difluorobenzene (CID 79881360) is 5-(bromomethyl)-2-[2-(3-bromophenoxy)ethoxy]-1,3-difluorobenzene.
What is the SMILES notation for 5-(bromomethyl)-2-[2-(3-bromophenoxy)ethoxy]-1,3-difluorobenzene?
The canonical SMILES for 5-(bromomethyl)-2-[2-(3-bromophenoxy)ethoxy]-1,3-difluorobenzene is Fc1cc(CBr)cc(F)c1OCCOc1cccc(Br)c1.
What is the InChIKey of 5-(bromomethyl)-2-[2-(3-bromophenoxy)ethoxy]-1,3-difluorobenzene?
The InChIKey is AFLMYPGIVREIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2F2O2/c16-9-10-6-13(18)15(14(19)7-10)21-5-4-20-12-3-1-2-11(17)8-12/h1-3,6-8H,4-5,9H2.
What are the key properties of 5-(bromomethyl)-2-[2-(3-bromophenoxy)ethoxy]-1,3-difluorobenzene?
5-(bromomethyl)-2-[2-(3-bromophenoxy)ethoxy]-1,3-difluorobenzene has a molecular weight of 422.06 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-[2-(3-bromophenoxy)ethoxy]-1,3-difluorobenzene is sourced from PubChem (CID 79881360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).