2-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyrimidine

C7H7F3N2O3S — CID 156881214

IUPAC2-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCS(=O)(=O)c1ncc(OCC(F)(F)F)cn1
InChIInChI=1S/C7H7F3N2O3S/c1-16(13,14)6-11-2-5(3-12-6)15-4-7(8,9)10/h2-3H,4H2,1H3
InChIKeyRAOADYLLUFVKKK-UHFFFAOYSA-N
MW256.20 g/mol
LogP0.82
Rot. Bonds3

About 2-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyrimidine

2-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 156881214) has the molecular formula C7H7F3N2O3S and a molecular weight of 256.20 g/mol. Its IUPAC name is 2-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name2-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID156881214
Molecular FormulaC7H7F3N2O3S
Molecular Weight256.20 g/mol
Exact Mass256.01
IUPAC Name2-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCS(=O)(=O)c1ncc(OCC(F)(F)F)cn1
InChIInChI=1S/C7H7F3N2O3S/c1-16(13,14)6-11-2-5(3-12-6)15-4-7(8,9)10/h2-3H,4H2,1H3
InChIKeyRAOADYLLUFVKKK-UHFFFAOYSA-N
XLogP0.82
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 2-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyrimidine (CID 156881214) is 2-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 2-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 2-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyrimidine is CS(=O)(=O)c1ncc(OCC(F)(F)F)cn1.
What is the InChIKey of 2-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is RAOADYLLUFVKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3S/c1-16(13,14)6-11-2-5(3-12-6)15-4-7(8,9)10/h2-3H,4H2,1H3.
What are the key properties of 2-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyrimidine?
2-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 256.20 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 156881214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).