4-(trifluoromethyl)-2-[[4-(trifluoromethyl)-2-pyridinyl]trisulfanyl]pyridine

C12H6F6N2S3 — CID 87643453

IUPAC4-(trifluoromethyl)-2-[[4-(trifluoromethyl)-2-pyridinyl]trisulfanyl]pyridine
SMILESFC(F)(F)c1ccnc(SSSc2cc(C(F)(F)F)ccn2)c1
InChIInChI=1S/C12H6F6N2S3/c13-11(14,15)7-1-3-19-9(5-7)21-23-22-10-6-8(2-4-20-10)12(16,17)18/h1-6H
InChIKeyDIIPTFXSIUCYRZ-UHFFFAOYSA-N
MW388.38 g/mol
LogP5.96
Rot. Bonds4

About 4-(trifluoromethyl)-2-[[4-(trifluoromethyl)-2-pyridinyl]trisulfanyl]pyridine

4-(trifluoromethyl)-2-[[4-(trifluoromethyl)-2-pyridinyl]trisulfanyl]pyridine (PubChem CID 87643453) has the molecular formula C12H6F6N2S3 and a molecular weight of 388.38 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2-[[4-(trifluoromethyl)-2-pyridinyl]trisulfanyl]pyridine.

Molecular Properties

Compound Name4-(trifluoromethyl)-2-[[4-(trifluoromethyl)-2-pyridinyl]trisulfanyl]pyridine
PubChem CID87643453
Molecular FormulaC12H6F6N2S3
Molecular Weight388.38 g/mol
Exact Mass387.96
IUPAC Name4-(trifluoromethyl)-2-[[4-(trifluoromethyl)-2-pyridinyl]trisulfanyl]pyridine
SMILESFC(F)(F)c1ccnc(SSSc2cc(C(F)(F)F)ccn2)c1
InChIInChI=1S/C12H6F6N2S3/c13-11(14,15)7-1-3-19-9(5-7)21-23-22-10-6-8(2-4-20-10)12(16,17)18/h1-6H
InChIKeyDIIPTFXSIUCYRZ-UHFFFAOYSA-N
XLogP5.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.38
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2-[[4-(trifluoromethyl)-2-pyridinyl]trisulfanyl]pyridine?
The IUPAC name of 4-(trifluoromethyl)-2-[[4-(trifluoromethyl)-2-pyridinyl]trisulfanyl]pyridine (CID 87643453) is 4-(trifluoromethyl)-2-[[4-(trifluoromethyl)-2-pyridinyl]trisulfanyl]pyridine.
What is the SMILES notation for 4-(trifluoromethyl)-2-[[4-(trifluoromethyl)-2-pyridinyl]trisulfanyl]pyridine?
The canonical SMILES for 4-(trifluoromethyl)-2-[[4-(trifluoromethyl)-2-pyridinyl]trisulfanyl]pyridine is FC(F)(F)c1ccnc(SSSc2cc(C(F)(F)F)ccn2)c1.
What is the InChIKey of 4-(trifluoromethyl)-2-[[4-(trifluoromethyl)-2-pyridinyl]trisulfanyl]pyridine?
The InChIKey is DIIPTFXSIUCYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F6N2S3/c13-11(14,15)7-1-3-19-9(5-7)21-23-22-10-6-8(2-4-20-10)12(16,17)18/h1-6H.
What are the key properties of 4-(trifluoromethyl)-2-[[4-(trifluoromethyl)-2-pyridinyl]trisulfanyl]pyridine?
4-(trifluoromethyl)-2-[[4-(trifluoromethyl)-2-pyridinyl]trisulfanyl]pyridine has a molecular weight of 388.38 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2-[[4-(trifluoromethyl)-2-pyridinyl]trisulfanyl]pyridine is sourced from PubChem (CID 87643453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).