1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]tetrasulfanyl]benzene

C14H8F6S4 — CID 54043851

IUPAC1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]tetrasulfanyl]benzene
SMILESFC(F)(F)c1cccc(SSSSc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H8F6S4/c15-13(16,17)9-3-1-5-11(7-9)21-23-24-22-12-6-2-4-10(8-12)14(18,19)20/h1-8H
InChIKeyLOEVEKXXOXRPKH-UHFFFAOYSA-N
MW418.47 g/mol
LogP7.82
Rot. Bonds5

About 1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]tetrasulfanyl]benzene

1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]tetrasulfanyl]benzene (PubChem CID 54043851) has the molecular formula C14H8F6S4 and a molecular weight of 418.47 g/mol. Its IUPAC name is 1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]tetrasulfanyl]benzene.

Molecular Properties

Compound Name1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]tetrasulfanyl]benzene
PubChem CID54043851
Molecular FormulaC14H8F6S4
Molecular Weight418.47 g/mol
Exact Mass417.94
IUPAC Name1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]tetrasulfanyl]benzene
SMILESFC(F)(F)c1cccc(SSSSc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H8F6S4/c15-13(16,17)9-3-1-5-11(7-9)21-23-24-22-12-6-2-4-10(8-12)14(18,19)20/h1-8H
InChIKeyLOEVEKXXOXRPKH-UHFFFAOYSA-N
XLogP7.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]ethanol
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1-(9-bromononylsulfanyl)-3-(trifluoromethyl)benzene
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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]tetrasulfanyl]benzene?
The IUPAC name of 1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]tetrasulfanyl]benzene (CID 54043851) is 1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]tetrasulfanyl]benzene.
What is the SMILES notation for 1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]tetrasulfanyl]benzene?
The canonical SMILES for 1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]tetrasulfanyl]benzene is FC(F)(F)c1cccc(SSSSc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]tetrasulfanyl]benzene?
The InChIKey is LOEVEKXXOXRPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6S4/c15-13(16,17)9-3-1-5-11(7-9)21-23-24-22-12-6-2-4-10(8-12)14(18,19)20/h1-8H.
What are the key properties of 1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]tetrasulfanyl]benzene?
1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]tetrasulfanyl]benzene has a molecular weight of 418.47 g/mol, XLogP of 7.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]tetrasulfanyl]benzene is sourced from PubChem (CID 54043851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).