2-ethylsulfonyl-5-(trifluoromethyl)pyrimidine

C7H7F3N2O2S — CID 13317023

IUPAC2-ethylsulfonyl-5-(trifluoromethyl)pyrimidine
SMILESCCS(=O)(=O)c1ncc(C(F)(F)F)cn1
InChIInChI=1S/C7H7F3N2O2S/c1-2-15(13,14)6-11-3-5(4-12-6)7(8,9)10/h3-4H,2H2,1H3
InChIKeyAOLDZHAGICDJTM-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.29
Rot. Bonds2

About 2-ethylsulfonyl-5-(trifluoromethyl)pyrimidine

2-ethylsulfonyl-5-(trifluoromethyl)pyrimidine (PubChem CID 13317023) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-ethylsulfonyl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-ethylsulfonyl-5-(trifluoromethyl)pyrimidine
PubChem CID13317023
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Name2-ethylsulfonyl-5-(trifluoromethyl)pyrimidine
SMILESCCS(=O)(=O)c1ncc(C(F)(F)F)cn1
InChIInChI=1S/C7H7F3N2O2S/c1-2-15(13,14)6-11-3-5(4-12-6)7(8,9)10/h3-4H,2H2,1H3
InChIKeyAOLDZHAGICDJTM-UHFFFAOYSA-N
XLogP1.29
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-2-(methylsulphonyl)pyrimidine
CID 319286
5-Fluoro-2-(methylsulfonyl)pyrimidine
CID 566379
5-Chloro-2-propa-1,2-dienylsulfonylpyrimidine
CID 12958937
5-Methylpyrimidine-2-sulfonyl fluoride
CID 53435890
4-Fluoro-5-methyl-2-(methylsulfanyl)pyrimidine
CID 177800939
5-Iodo-2-(methylsulfonyl)pyrimidine
CID 153644323
4-Chloro-5-methyl-2-(methylsulfonyl)pyrimidine
CID 11275775
2-Ethylsulfonylpyrimidine
CID 20158620
5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine
CID 63208027
5-Trifluoromethyl-2-trifluoromethylthiopyrimidine
CID 6421029
2-(Methylthio)-5-(trifluoromethyl)pyrimidine
CID 4738563
2-Ethylthio-5-trifluoromethylpyrimidine
CID 13317020

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-ethylsulfonyl-5-(trifluoromethyl)pyrimidine (CID 13317023) is 2-ethylsulfonyl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-ethylsulfonyl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-ethylsulfonyl-5-(trifluoromethyl)pyrimidine is CCS(=O)(=O)c1ncc(C(F)(F)F)cn1.
What is the InChIKey of 2-ethylsulfonyl-5-(trifluoromethyl)pyrimidine?
The InChIKey is AOLDZHAGICDJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c1-2-15(13,14)6-11-3-5(4-12-6)7(8,9)10/h3-4H,2H2,1H3.
What are the key properties of 2-ethylsulfonyl-5-(trifluoromethyl)pyrimidine?
2-ethylsulfonyl-5-(trifluoromethyl)pyrimidine has a molecular weight of 240.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 13317023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).