1-bromo-4-[2-(4-fluorophenyl)sulfanylethoxy]benzene

C14H12BrFOS — CID 60623467

IUPAC1-bromo-4-[2-(4-fluorophenyl)sulfanylethoxy]benzene
SMILESFc1ccc(SCCOc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12BrFOS/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-8H,9-10H2
InChIKeyAFURAVQMDLJZDD-UHFFFAOYSA-N
MW327.22 g/mol
LogP4.76
Rot. Bonds5

About 1-bromo-4-[2-(4-fluorophenyl)sulfanylethoxy]benzene

1-bromo-4-[2-(4-fluorophenyl)sulfanylethoxy]benzene (PubChem CID 60623467) has the molecular formula C14H12BrFOS and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-bromo-4-[2-(4-fluorophenyl)sulfanylethoxy]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-(4-fluorophenyl)sulfanylethoxy]benzene
PubChem CID60623467
Molecular FormulaC14H12BrFOS
Molecular Weight327.22 g/mol
Exact Mass325.98
IUPAC Name1-bromo-4-[2-(4-fluorophenyl)sulfanylethoxy]benzene
SMILESFc1ccc(SCCOc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12BrFOS/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-8H,9-10H2
InChIKeyAFURAVQMDLJZDD-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-fluorophenyl)sulfanylethoxy]aniline
CID 43366307
2-[2-(4-bromophenoxy)ethylsulfanyl]-1,4-difluorobenzene
CID 55027206
5-bromo-2-[2-(4-fluorophenoxy)ethylsulfanyl]aniline
CID 43305986
3-[2-(4-bromophenoxy)ethylsulfanyl]-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-amine
CID 24671104
4-bromo-2-[2-(4-fluorophenoxy)ethylsulfanyl]benzoic acid
CID 115381908
3-[2-(4-fluorophenoxy)ethylsulfanyl]aniline
CID 79134561
4-[3-(4-fluorophenyl)sulfanylpropoxy]benzoic acid
CID 63099439
2-[2-(4-bromophenoxy)ethylsulfanyl]pyrimidine-4,6-diamine
CID 4788587
3-[2-(4-bromophenoxy)ethylsulfanyl]-4-(4-fluorophenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole
CID 2536216
1-bromo-4-[2-(2-methoxyethylsulfanyl)ethoxy]benzene
CID 60733175
2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine
CID 82027726
3-(4-bromophenyl)-2-[2-(4-fluorophenoxy)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 53366429

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-(4-fluorophenyl)sulfanylethoxy]benzene?
The IUPAC name of 1-bromo-4-[2-(4-fluorophenyl)sulfanylethoxy]benzene (CID 60623467) is 1-bromo-4-[2-(4-fluorophenyl)sulfanylethoxy]benzene.
What is the SMILES notation for 1-bromo-4-[2-(4-fluorophenyl)sulfanylethoxy]benzene?
The canonical SMILES for 1-bromo-4-[2-(4-fluorophenyl)sulfanylethoxy]benzene is Fc1ccc(SCCOc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-[2-(4-fluorophenyl)sulfanylethoxy]benzene?
The InChIKey is AFURAVQMDLJZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFOS/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-8H,9-10H2.
What are the key properties of 1-bromo-4-[2-(4-fluorophenyl)sulfanylethoxy]benzene?
1-bromo-4-[2-(4-fluorophenyl)sulfanylethoxy]benzene has a molecular weight of 327.22 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-(4-fluorophenyl)sulfanylethoxy]benzene is sourced from PubChem (CID 60623467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).