5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine

C6H2F6N2S — CID 6421029

IUPAC5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine
SMILESFC(F)(F)Sc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C6H2F6N2S/c7-5(8,9)3-1-13-4(14-2-3)15-6(10,11)12/h1-2H
InChIKeySFVPERDOHMOOIC-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.11
Rot. Bonds1

About 5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine

5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine (PubChem CID 6421029) has the molecular formula C6H2F6N2S and a molecular weight of 248.15 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine
PubChem CID6421029
Molecular FormulaC6H2F6N2S
Molecular Weight248.15 g/mol
Exact Mass247.98
IUPAC Name5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine
SMILESFC(F)(F)Sc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C6H2F6N2S/c7-5(8,9)3-1-13-4(14-2-3)15-6(10,11)12/h1-2H
InChIKeySFVPERDOHMOOIC-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

5-Fluoropyrimidine
CID 69605
2-Chloro-5-(trifluoromethyl)pyrimidine
CID 13317019
5-Methylpyrimidine
CID 74859
5-(Trifluoromethyl)pyrimidine
CID 15273573
2,4-Difluoro-5-methylpyrimidine
CID 336950
2,4,5-Trifluoropyrimidine
CID 12797307
2-(Methylsulfanyl)pyrimidine-5-carbonitrile
CID 13114184
4-Chloro-5-methyl-2-(methylthio)pyrimidine
CID 23562708
2-Chloro-5-(trifluoromethyl)pyrimidin-4-amine
CID 72183117
2,5-Difluoropyrimidine
CID 14449398
2-Fluoro-5-methylpyrimidine
CID 23268885
5-Methyl-2-(methylthio)-4-pyrimidinamine
CID 593218

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine?
The IUPAC name of 5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine (CID 6421029) is 5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine.
What is the SMILES notation for 5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine?
The canonical SMILES for 5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine is FC(F)(F)Sc1ncc(C(F)(F)F)cn1.
What is the InChIKey of 5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine?
The InChIKey is SFVPERDOHMOOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F6N2S/c7-5(8,9)3-1-13-4(14-2-3)15-6(10,11)12/h1-2H.
What are the key properties of 5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine?
5-(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 5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine is sourced from PubChem (CID 6421029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).