2-[2-(4-bromophenoxy)ethylsulfanyl]-1,4-difluorobenzene

C14H11BrF2OS — CID 55027206

IUPAC2-[2-(4-bromophenoxy)ethylsulfanyl]-1,4-difluorobenzene
SMILESFc1ccc(F)c(SCCOc2ccc(Br)cc2)c1
InChIInChI=1S/C14H11BrF2OS/c15-10-1-4-12(5-2-10)18-7-8-19-14-9-11(16)3-6-13(14)17/h1-6,9H,7-8H2
InChIKeyOODHCSVBQCPXLL-UHFFFAOYSA-N
MW345.21 g/mol
LogP4.90
Rot. Bonds5

About 2-[2-(4-bromophenoxy)ethylsulfanyl]-1,4-difluorobenzene

2-[2-(4-bromophenoxy)ethylsulfanyl]-1,4-difluorobenzene (PubChem CID 55027206) has the molecular formula C14H11BrF2OS and a molecular weight of 345.21 g/mol. Its IUPAC name is 2-[2-(4-bromophenoxy)ethylsulfanyl]-1,4-difluorobenzene.

Molecular Properties

Compound Name2-[2-(4-bromophenoxy)ethylsulfanyl]-1,4-difluorobenzene
PubChem CID55027206
Molecular FormulaC14H11BrF2OS
Molecular Weight345.21 g/mol
Exact Mass343.97
IUPAC Name2-[2-(4-bromophenoxy)ethylsulfanyl]-1,4-difluorobenzene
SMILESFc1ccc(F)c(SCCOc2ccc(Br)cc2)c1
InChIInChI=1S/C14H11BrF2OS/c15-10-1-4-12(5-2-10)18-7-8-19-14-9-11(16)3-6-13(14)17/h1-6,9H,7-8H2
InChIKeyOODHCSVBQCPXLL-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(4-bromophenoxy)ethylsulfanyl]-1,4-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

1-bromo-4-[2-(4-fluorophenyl)sulfanylethoxy]benzene
CID 60623467
5-bromo-2-[2-(4-fluorophenoxy)ethylsulfanyl]aniline
CID 43305986
4-bromo-2-[2-(4-fluorophenoxy)ethylsulfanyl]benzoic acid
CID 115381908
4-fluoro-2-[2-(4-methylphenoxy)ethylsulfanyl]aniline
CID 79144279
4-fluoro-2-(2-phenoxyethylsulfanyl)aniline
CID 79148795
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-fluoroaniline
CID 43304030
5-fluoro-2-(2-phenoxyethylsulfanyl)aniline
CID 43304229
1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene
CID 63531797
2-[2-(4-bromophenoxy)ethylsulfanyl]pyrimidine-4,6-diamine
CID 4788587
2-[3-(2,5-difluorophenyl)sulfanylpropoxy]aniline
CID 43518988
4-(2,5-difluorophenyl)sulfanylbutan-1-amine
CID 43530759
2-(2-azidoethylsulfanyl)-1,4-difluorobenzene
CID 61397187

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenoxy)ethylsulfanyl]-1,4-difluorobenzene?
The IUPAC name of 2-[2-(4-bromophenoxy)ethylsulfanyl]-1,4-difluorobenzene (CID 55027206) is 2-[2-(4-bromophenoxy)ethylsulfanyl]-1,4-difluorobenzene.
What is the SMILES notation for 2-[2-(4-bromophenoxy)ethylsulfanyl]-1,4-difluorobenzene?
The canonical SMILES for 2-[2-(4-bromophenoxy)ethylsulfanyl]-1,4-difluorobenzene is Fc1ccc(F)c(SCCOc2ccc(Br)cc2)c1.
What is the InChIKey of 2-[2-(4-bromophenoxy)ethylsulfanyl]-1,4-difluorobenzene?
The InChIKey is OODHCSVBQCPXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2OS/c15-10-1-4-12(5-2-10)18-7-8-19-14-9-11(16)3-6-13(14)17/h1-6,9H,7-8H2.
What are the key properties of 2-[2-(4-bromophenoxy)ethylsulfanyl]-1,4-difluorobenzene?
2-[2-(4-bromophenoxy)ethylsulfanyl]-1,4-difluorobenzene has a molecular weight of 345.21 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenoxy)ethylsulfanyl]-1,4-difluorobenzene is sourced from PubChem (CID 55027206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).