2-[(2,5-difluorophenyl)disulfanyl]-1,4-difluorobenzene

C12H6F4S2 — CID 22351785

IUPAC2-[(2,5-difluorophenyl)disulfanyl]-1,4-difluorobenzene
SMILESFc1ccc(F)c(SSc2cc(F)ccc2F)c1
InChIInChI=1S/C12H6F4S2/c13-7-1-3-9(15)11(5-7)17-18-12-6-8(14)2-4-10(12)16/h1-6H
InChIKeyQFBSAAGMHNOCOB-UHFFFAOYSA-N
MW290.31 g/mol
LogP5.04
Rot. Bonds3

About 2-[(2,5-difluorophenyl)disulfanyl]-1,4-difluorobenzene

2-[(2,5-difluorophenyl)disulfanyl]-1,4-difluorobenzene (PubChem CID 22351785) has the molecular formula C12H6F4S2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)disulfanyl]-1,4-difluorobenzene.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)disulfanyl]-1,4-difluorobenzene
PubChem CID22351785
Molecular FormulaC12H6F4S2
Molecular Weight290.31 g/mol
Exact Mass289.98
IUPAC Name2-[(2,5-difluorophenyl)disulfanyl]-1,4-difluorobenzene
SMILESFc1ccc(F)c(SSc2cc(F)ccc2F)c1
InChIInChI=1S/C12H6F4S2/c13-7-1-3-9(15)11(5-7)17-18-12-6-8(14)2-4-10(12)16/h1-6H
InChIKeyQFBSAAGMHNOCOB-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.31
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-difluorophenyl)sulfanylpropanoic acid
CID 16772336
4-(2,5-difluorophenyl)sulfanylbutan-1-amine
CID 43530759
3-(2,5-difluorophenyl)sulfanyl-2-methylpropan-1-ol
CID 115870910
5-(2,5-difluorophenyl)sulfanylpentan-1-ol
CID 62226939
magnesium;hydride;1,2,4-trifluorobenzene
CID 174647436
3-chloro-6-(2,5-difluorophenyl)sulfanylpyridazine
CID 43395599
1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine
CID 43519087
2-(2-azidoethylsulfanyl)-1,4-difluorobenzene
CID 61397187
2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylaniline
CID 103591356
[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 43657658
5-(2,5-difluorophenyl)sulfanylpentanenitrile
CID 60665590
4-chloro-N-[2-(2,5-difluorophenyl)sulfanylethyl]aniline
CID 63517770

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)disulfanyl]-1,4-difluorobenzene?
The IUPAC name of 2-[(2,5-difluorophenyl)disulfanyl]-1,4-difluorobenzene (CID 22351785) is 2-[(2,5-difluorophenyl)disulfanyl]-1,4-difluorobenzene.
What is the SMILES notation for 2-[(2,5-difluorophenyl)disulfanyl]-1,4-difluorobenzene?
The canonical SMILES for 2-[(2,5-difluorophenyl)disulfanyl]-1,4-difluorobenzene is Fc1ccc(F)c(SSc2cc(F)ccc2F)c1.
What is the InChIKey of 2-[(2,5-difluorophenyl)disulfanyl]-1,4-difluorobenzene?
The InChIKey is QFBSAAGMHNOCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4S2/c13-7-1-3-9(15)11(5-7)17-18-12-6-8(14)2-4-10(12)16/h1-6H.
What are the key properties of 2-[(2,5-difluorophenyl)disulfanyl]-1,4-difluorobenzene?
2-[(2,5-difluorophenyl)disulfanyl]-1,4-difluorobenzene has a molecular weight of 290.31 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)disulfanyl]-1,4-difluorobenzene is sourced from PubChem (CID 22351785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).