2,5-difluoro-4,6-bis(trifluoromethylsulfanyl)pyrimidine

C6F8N2S2 — CID 14064410

IUPAC2,5-difluoro-4,6-bis(trifluoromethylsulfanyl)pyrimidine
SMILESFc1nc(SC(F)(F)F)c(F)c(SC(F)(F)F)n1
InChIInChI=1S/C6F8N2S2/c7-1-2(17-5(9,10)11)15-4(8)16-3(1)18-6(12,13)14
InChIKeyZLZBZCGXLWPMKN-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.98
Rot. Bonds2

About 2,5-difluoro-4,6-bis(trifluoromethylsulfanyl)pyrimidine

2,5-difluoro-4,6-bis(trifluoromethylsulfanyl)pyrimidine (PubChem CID 14064410) has the molecular formula C6F8N2S2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 2,5-difluoro-4,6-bis(trifluoromethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2,5-difluoro-4,6-bis(trifluoromethylsulfanyl)pyrimidine
PubChem CID14064410
Molecular FormulaC6F8N2S2
Molecular Weight316.20 g/mol
Exact Mass315.94
IUPAC Name2,5-difluoro-4,6-bis(trifluoromethylsulfanyl)pyrimidine
SMILESFc1nc(SC(F)(F)F)c(F)c(SC(F)(F)F)n1
InChIInChI=1S/C6F8N2S2/c7-1-2(17-5(9,10)11)15-4(8)16-3(1)18-6(12,13)14
InChIKeyZLZBZCGXLWPMKN-UHFFFAOYSA-N
XLogP3.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4,6-bis(trifluoromethylsulfanyl)pyrimidine?
The IUPAC name of 2,5-difluoro-4,6-bis(trifluoromethylsulfanyl)pyrimidine (CID 14064410) is 2,5-difluoro-4,6-bis(trifluoromethylsulfanyl)pyrimidine.
What is the SMILES notation for 2,5-difluoro-4,6-bis(trifluoromethylsulfanyl)pyrimidine?
The canonical SMILES for 2,5-difluoro-4,6-bis(trifluoromethylsulfanyl)pyrimidine is Fc1nc(SC(F)(F)F)c(F)c(SC(F)(F)F)n1.
What is the InChIKey of 2,5-difluoro-4,6-bis(trifluoromethylsulfanyl)pyrimidine?
The InChIKey is ZLZBZCGXLWPMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F8N2S2/c7-1-2(17-5(9,10)11)15-4(8)16-3(1)18-6(12,13)14.
What are the key properties of 2,5-difluoro-4,6-bis(trifluoromethylsulfanyl)pyrimidine?
2,5-difluoro-4,6-bis(trifluoromethylsulfanyl)pyrimidine has a molecular weight of 316.20 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4,6-bis(trifluoromethylsulfanyl)pyrimidine is sourced from PubChem (CID 14064410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).