5-ethylsulfonyl-2,4,6-trifluoropyrimidine

C6H5F3N2O2S — CID 70458993

IUPAC5-ethylsulfonyl-2,4,6-trifluoropyrimidine
SMILESCCS(=O)(=O)c1c(F)nc(F)nc1F
InChIInChI=1S/C6H5F3N2O2S/c1-2-14(12,13)3-4(7)10-6(9)11-5(3)8/h2H2,1H3
InChIKeyHRIKAINWBXQQPA-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.69
Rot. Bonds2

About 5-ethylsulfonyl-2,4,6-trifluoropyrimidine

5-ethylsulfonyl-2,4,6-trifluoropyrimidine (PubChem CID 70458993) has the molecular formula C6H5F3N2O2S and a molecular weight of 226.18 g/mol. Its IUPAC name is 5-ethylsulfonyl-2,4,6-trifluoropyrimidine.

Molecular Properties

Compound Name5-ethylsulfonyl-2,4,6-trifluoropyrimidine
PubChem CID70458993
Molecular FormulaC6H5F3N2O2S
Molecular Weight226.18 g/mol
Exact Mass226.00
IUPAC Name5-ethylsulfonyl-2,4,6-trifluoropyrimidine
SMILESCCS(=O)(=O)c1c(F)nc(F)nc1F
InChIInChI=1S/C6H5F3N2O2S/c1-2-14(12,13)3-4(7)10-6(9)11-5(3)8/h2H2,1H3
InChIKeyHRIKAINWBXQQPA-UHFFFAOYSA-N
XLogP0.69
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2,4,6-trifluoropyrimidine?
The IUPAC name of 5-ethylsulfonyl-2,4,6-trifluoropyrimidine (CID 70458993) is 5-ethylsulfonyl-2,4,6-trifluoropyrimidine.
What is the SMILES notation for 5-ethylsulfonyl-2,4,6-trifluoropyrimidine?
The canonical SMILES for 5-ethylsulfonyl-2,4,6-trifluoropyrimidine is CCS(=O)(=O)c1c(F)nc(F)nc1F.
What is the InChIKey of 5-ethylsulfonyl-2,4,6-trifluoropyrimidine?
The InChIKey is HRIKAINWBXQQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2S/c1-2-14(12,13)3-4(7)10-6(9)11-5(3)8/h2H2,1H3.
What are the key properties of 5-ethylsulfonyl-2,4,6-trifluoropyrimidine?
5-ethylsulfonyl-2,4,6-trifluoropyrimidine has a molecular weight of 226.18 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2,4,6-trifluoropyrimidine is sourced from PubChem (CID 70458993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).