4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine

C13H11F3N2 — CID 116903666

IUPAC4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine
SMILESCCc1ccc(-c2ccnc(C(F)(F)F)n2)cc1
InChIInChI=1S/C13H11F3N2/c1-2-9-3-5-10(6-4-9)11-7-8-17-12(18-11)13(14,15)16/h3-8H,2H2,1H3
InChIKeyVWPMHJDALYTGBY-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.72
Rot. Bonds2

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

4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 116903666) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine
PubChem CID116903666
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine
SMILESCCc1ccc(-c2ccnc(C(F)(F)F)n2)cc1
InChIInChI=1S/C13H11F3N2/c1-2-9-3-5-10(6-4-9)11-7-8-17-12(18-11)13(14,15)16/h3-8H,2H2,1H3
InChIKeyVWPMHJDALYTGBY-UHFFFAOYSA-N
XLogP3.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine (CID 116903666) is 4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine is CCc1ccc(-c2ccnc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is VWPMHJDALYTGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c1-2-9-3-5-10(6-4-9)11-7-8-17-12(18-11)13(14,15)16/h3-8H,2H2,1H3.
What are the key properties of 4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine?
4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 252.24 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 116903666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).