4-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine

C6H2F6N2S — CID 23237312

IUPAC4-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine
SMILESFC(F)(F)Sc1nccc(C(F)(F)F)n1
InChIInChI=1S/C6H2F6N2S/c7-5(8,9)3-1-2-13-4(14-3)15-6(10,11)12/h1-2H
InChIKeyKVGFMIBAKPUYBH-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.11
Rot. Bonds1

About 4-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine

4-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine (PubChem CID 23237312) has the molecular formula C6H2F6N2S and a molecular weight of 248.15 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine
PubChem CID23237312
Molecular FormulaC6H2F6N2S
Molecular Weight248.15 g/mol
Exact Mass247.98
IUPAC Name4-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine
SMILESFC(F)(F)Sc1nccc(C(F)(F)F)n1
InChIInChI=1S/C6H2F6N2S/c7-5(8,9)3-1-2-13-4(14-3)15-6(10,11)12/h1-2H
InChIKeyKVGFMIBAKPUYBH-UHFFFAOYSA-N
XLogP3.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-methylpyrimidine
CID 7939
4-Methylpyrimidine
CID 18922
2-Amino-4-(trifluoromethyl)pyrimidine
CID 595915
Pyrimidine-4-carbonitrile
CID 10313094
4-Methyl-2-(methylsulfanyl)pyrimidine
CID 821261
2-Chloro-4-(trifluoromethyl)pyrimidine
CID 2773912
2-Bromo-4-(trifluoromethyl)pyrimidine
CID 11436086
2-Chloro-4-methylpyrimidine
CID 11629607
2-Fluoro-4-methylpyrimidine
CID 17804394
2-(Methylthio)-4-(trifluoromethyl)pyrimidine
CID 2780414
Pyrimidine, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)-
CID 78585
4-Ethynylpyrimidine
CID 22451318

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine?
The IUPAC name of 4-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine (CID 23237312) is 4-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine.
What is the SMILES notation for 4-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine?
The canonical SMILES for 4-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine is FC(F)(F)Sc1nccc(C(F)(F)F)n1.
What is the InChIKey of 4-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine?
The InChIKey is KVGFMIBAKPUYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F6N2S/c7-5(8,9)3-1-2-13-4(14-3)15-6(10,11)12/h1-2H.
What are the key properties of 4-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine?
4-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine has a molecular weight of 248.15 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine is sourced from PubChem (CID 23237312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).