1,2-bis(2-chloro-1,1,2,2-tetrafluoroethyl)-1λ4,2λ4-dithiacyclobutene

C6H4Cl2F8S2 — CID 143676176

IUPAC1,2-bis(2-chloro-1,1,2,2-tetrafluoroethyl)-1λ4,2λ4-dithiacyclobutene
SMILESFC(F)(Cl)C(F)(F)S1=S(C(F)(F)C(F)(F)Cl)CC1
InChIInChI=1S/C6H4Cl2F8S2/c7-3(9,10)5(13,14)17-1-2-18(17)6(15,16)4(8,11)12/h1-2H2
InChIKeyKGEBCRHGMNBVQR-UHFFFAOYSA-N
MW363.12 g/mol
LogP4.00
Rot. Bonds4

About 1,2-bis(2-chloro-1,1,2,2-tetrafluoroethyl)-1λ4,2λ4-dithiacyclobutene

1,2-bis(2-chloro-1,1,2,2-tetrafluoroethyl)-1λ4,2λ4-dithiacyclobutene (PubChem CID 143676176) has the molecular formula C6H4Cl2F8S2 and a molecular weight of 363.12 g/mol. Its IUPAC name is 1,2-bis(2-chloro-1,1,2,2-tetrafluoroethyl)-1λ4,2λ4-dithiacyclobutene.

Molecular Properties

Compound Name1,2-bis(2-chloro-1,1,2,2-tetrafluoroethyl)-1λ4,2λ4-dithiacyclobutene
PubChem CID143676176
Molecular FormulaC6H4Cl2F8S2
Molecular Weight363.12 g/mol
Exact Mass361.90
IUPAC Name1,2-bis(2-chloro-1,1,2,2-tetrafluoroethyl)-1λ4,2λ4-dithiacyclobutene
SMILESFC(F)(Cl)C(F)(F)S1=S(C(F)(F)C(F)(F)Cl)CC1
InChIInChI=1S/C6H4Cl2F8S2/c7-3(9,10)5(13,14)17-1-2-18(17)6(15,16)4(8,11)12/h1-2H2
InChIKeyKGEBCRHGMNBVQR-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.12
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-chloro-1,1,2,2-tetrafluoroethyl)-1λ4,2λ4-dithiacyclobutene?
The IUPAC name of 1,2-bis(2-chloro-1,1,2,2-tetrafluoroethyl)-1λ4,2λ4-dithiacyclobutene (CID 143676176) is 1,2-bis(2-chloro-1,1,2,2-tetrafluoroethyl)-1λ4,2λ4-dithiacyclobutene.
What is the SMILES notation for 1,2-bis(2-chloro-1,1,2,2-tetrafluoroethyl)-1λ4,2λ4-dithiacyclobutene?
The canonical SMILES for 1,2-bis(2-chloro-1,1,2,2-tetrafluoroethyl)-1λ4,2λ4-dithiacyclobutene is FC(F)(Cl)C(F)(F)S1=S(C(F)(F)C(F)(F)Cl)CC1.
What is the InChIKey of 1,2-bis(2-chloro-1,1,2,2-tetrafluoroethyl)-1λ4,2λ4-dithiacyclobutene?
The InChIKey is KGEBCRHGMNBVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2F8S2/c7-3(9,10)5(13,14)17-1-2-18(17)6(15,16)4(8,11)12/h1-2H2.
What are the key properties of 1,2-bis(2-chloro-1,1,2,2-tetrafluoroethyl)-1λ4,2λ4-dithiacyclobutene?
1,2-bis(2-chloro-1,1,2,2-tetrafluoroethyl)-1λ4,2λ4-dithiacyclobutene has a molecular weight of 363.12 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-chloro-1,1,2,2-tetrafluoroethyl)-1λ4,2λ4-dithiacyclobutene is sourced from PubChem (CID 143676176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).