chloro-[3-chloro-5-[chloro(tetrafluoro)-λ6-sulfanyl]phenyl]-tetrafluoro-λ6-sulfane

C6H3Cl3F8S2 — CID 142709131

IUPACchloro-[3-chloro-5-[chloro(tetrafluoro)-λ6-sulfanyl]phenyl]-tetrafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(Cl)c1cc(Cl)cc(S(F)(F)(F)(F)Cl)c1
InChIInChI=1S/C6H3Cl3F8S2/c7-4-1-5(18(8,10,11,12)13)3-6(2-4)19(9,14,15,16)17/h1-3H
InChIKeyDPRKIHALJWFRJZ-UHFFFAOYSA-N
MW397.57 g/mol
LogP8.19
Rot. Bonds2

About chloro-[3-chloro-5-[chloro(tetrafluoro)-λ6-sulfanyl]phenyl]-tetrafluoro-λ6-sulfane

chloro-[3-chloro-5-[chloro(tetrafluoro)-λ6-sulfanyl]phenyl]-tetrafluoro-λ6-sulfane (PubChem CID 142709131) has the molecular formula C6H3Cl3F8S2 and a molecular weight of 397.57 g/mol. Its IUPAC name is chloro-[3-chloro-5-[chloro(tetrafluoro)-λ6-sulfanyl]phenyl]-tetrafluoro-λ6-sulfane.

Molecular Properties

Compound Namechloro-[3-chloro-5-[chloro(tetrafluoro)-λ6-sulfanyl]phenyl]-tetrafluoro-λ6-sulfane
PubChem CID142709131
Molecular FormulaC6H3Cl3F8S2
Molecular Weight397.57 g/mol
Exact Mass395.86
IUPAC Namechloro-[3-chloro-5-[chloro(tetrafluoro)-λ6-sulfanyl]phenyl]-tetrafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(Cl)c1cc(Cl)cc(S(F)(F)(F)(F)Cl)c1
InChIInChI=1S/C6H3Cl3F8S2/c7-4-1-5(18(8,10,11,12)13)3-6(2-4)19(9,14,15,16)17/h1-3H
InChIKeyDPRKIHALJWFRJZ-UHFFFAOYSA-N
XLogP8.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.57
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-Chlorophenylsulfur Pentafluoride
CID 19692988
p-Chlorophenyltetrafluorochlorosulfur(VI)
CID 57847693
(3-Chloro-2,4,6-trifluorophenyl)-pentafluoro-lambda6-sulfane
CID 57847700
CID 139245904
CID 139245904
3-Chloro-4-fluorobenzenethiolate
CID 6933709
(3,5-Dichloro-4-fluorophenyl)-pentafluoro-lambda6-sulfane
CID 12115524
5-Chloro-2,4-difluorobenzenethiol
CID 50998076
(3-Chloro-2,6-difluorophenyl)-pentafluoro-lambda6-sulfane
CID 57847698
Sulfur, (3,4-dichlorophenyl)pentafluoro-, (OC-6-21)-
CID 58566852
(3-Chlorophenyl)pentafluoro-lambda6-sulfane
CID 72696286
3-Chloro-4-fluoro Benzenesulfenyl Chloride
CID 86633009
1-Chloro-3-(disulfanyl)-5-fluorobenzene
CID 90697834

Frequently Asked Questions

What is the IUPAC name of chloro-[3-chloro-5-[chloro(tetrafluoro)-λ6-sulfanyl]phenyl]-tetrafluoro-λ6-sulfane?
The IUPAC name of chloro-[3-chloro-5-[chloro(tetrafluoro)-λ6-sulfanyl]phenyl]-tetrafluoro-λ6-sulfane (CID 142709131) is chloro-[3-chloro-5-[chloro(tetrafluoro)-λ6-sulfanyl]phenyl]-tetrafluoro-λ6-sulfane.
What is the SMILES notation for chloro-[3-chloro-5-[chloro(tetrafluoro)-λ6-sulfanyl]phenyl]-tetrafluoro-λ6-sulfane?
The canonical SMILES for chloro-[3-chloro-5-[chloro(tetrafluoro)-λ6-sulfanyl]phenyl]-tetrafluoro-λ6-sulfane is FS(F)(F)(F)(Cl)c1cc(Cl)cc(S(F)(F)(F)(F)Cl)c1.
What is the InChIKey of chloro-[3-chloro-5-[chloro(tetrafluoro)-λ6-sulfanyl]phenyl]-tetrafluoro-λ6-sulfane?
The InChIKey is DPRKIHALJWFRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3F8S2/c7-4-1-5(18(8,10,11,12)13)3-6(2-4)19(9,14,15,16)17/h1-3H.
What are the key properties of chloro-[3-chloro-5-[chloro(tetrafluoro)-λ6-sulfanyl]phenyl]-tetrafluoro-λ6-sulfane?
chloro-[3-chloro-5-[chloro(tetrafluoro)-λ6-sulfanyl]phenyl]-tetrafluoro-λ6-sulfane has a molecular weight of 397.57 g/mol, XLogP of 8.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[3-chloro-5-[chloro(tetrafluoro)-λ6-sulfanyl]phenyl]-tetrafluoro-λ6-sulfane is sourced from PubChem (CID 142709131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).