chloro-[4-[chloro(tetrafluoro)-λ6-sulfanyl]-2,3,5,6-tetrafluorophenyl]-tetrafluoro-λ6-sulfane

C6Cl2F12S2 — CID 87318315

IUPACchloro-[4-[chloro(tetrafluoro)-λ6-sulfanyl]-2,3,5,6-tetrafluorophenyl]-tetrafluoro-λ6-sulfane
SMILESFc1c(F)c(S(F)(F)(F)(F)Cl)c(F)c(F)c1S(F)(F)(F)(F)Cl
InChIInChI=1S/C6Cl2F12S2/c7-21(13,14,15,16)5-1(9)2(10)6(4(12)3(5)11)22(8,17,18,19)20
InChIKeyZEAMQUHLGIGZNT-UHFFFAOYSA-N
MW435.08 g/mol
LogP8.10
Rot. Bonds2

About chloro-[4-[chloro(tetrafluoro)-λ6-sulfanyl]-2,3,5,6-tetrafluorophenyl]-tetrafluoro-λ6-sulfane

chloro-[4-[chloro(tetrafluoro)-λ6-sulfanyl]-2,3,5,6-tetrafluorophenyl]-tetrafluoro-λ6-sulfane (PubChem CID 87318315) has the molecular formula C6Cl2F12S2 and a molecular weight of 435.08 g/mol. Its IUPAC name is chloro-[4-[chloro(tetrafluoro)-λ6-sulfanyl]-2,3,5,6-tetrafluorophenyl]-tetrafluoro-λ6-sulfane.

Molecular Properties

Compound Namechloro-[4-[chloro(tetrafluoro)-λ6-sulfanyl]-2,3,5,6-tetrafluorophenyl]-tetrafluoro-λ6-sulfane
PubChem CID87318315
Molecular FormulaC6Cl2F12S2
Molecular Weight435.08 g/mol
Exact Mass433.86
IUPAC Namechloro-[4-[chloro(tetrafluoro)-λ6-sulfanyl]-2,3,5,6-tetrafluorophenyl]-tetrafluoro-λ6-sulfane
SMILESFc1c(F)c(S(F)(F)(F)(F)Cl)c(F)c(F)c1S(F)(F)(F)(F)Cl
InChIInChI=1S/C6Cl2F12S2/c7-21(13,14,15,16)5-1(9)2(10)6(4(12)3(5)11)22(8,17,18,19)20
InChIKeyZEAMQUHLGIGZNT-UHFFFAOYSA-N
XLogP8.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.08
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-[4-[chloro(tetrafluoro)-λ6-sulfanyl]-2,3,5,6-tetrafluorophenyl]-tetrafluoro-λ6-sulfane?
The IUPAC name of chloro-[4-[chloro(tetrafluoro)-λ6-sulfanyl]-2,3,5,6-tetrafluorophenyl]-tetrafluoro-λ6-sulfane (CID 87318315) is chloro-[4-[chloro(tetrafluoro)-λ6-sulfanyl]-2,3,5,6-tetrafluorophenyl]-tetrafluoro-λ6-sulfane.
What is the SMILES notation for chloro-[4-[chloro(tetrafluoro)-λ6-sulfanyl]-2,3,5,6-tetrafluorophenyl]-tetrafluoro-λ6-sulfane?
The canonical SMILES for chloro-[4-[chloro(tetrafluoro)-λ6-sulfanyl]-2,3,5,6-tetrafluorophenyl]-tetrafluoro-λ6-sulfane is Fc1c(F)c(S(F)(F)(F)(F)Cl)c(F)c(F)c1S(F)(F)(F)(F)Cl.
What is the InChIKey of chloro-[4-[chloro(tetrafluoro)-λ6-sulfanyl]-2,3,5,6-tetrafluorophenyl]-tetrafluoro-λ6-sulfane?
The InChIKey is ZEAMQUHLGIGZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl2F12S2/c7-21(13,14,15,16)5-1(9)2(10)6(4(12)3(5)11)22(8,17,18,19)20.
What are the key properties of chloro-[4-[chloro(tetrafluoro)-λ6-sulfanyl]-2,3,5,6-tetrafluorophenyl]-tetrafluoro-λ6-sulfane?
chloro-[4-[chloro(tetrafluoro)-λ6-sulfanyl]-2,3,5,6-tetrafluorophenyl]-tetrafluoro-λ6-sulfane has a molecular weight of 435.08 g/mol, XLogP of 8.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[4-[chloro(tetrafluoro)-λ6-sulfanyl]-2,3,5,6-tetrafluorophenyl]-tetrafluoro-λ6-sulfane is sourced from PubChem (CID 87318315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).