2-[3-methyl-2-(trifluoromethyl)phenyl]pyrimidine

C12H9F3N2 — CID 91496892

IUPAC2-[3-methyl-2-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1cccc(-c2ncccn2)c1C(F)(F)F
InChIInChI=1S/C12H9F3N2/c1-8-4-2-5-9(10(8)12(13,14)15)11-16-6-3-7-17-11/h2-7H,1H3
InChIKeyDQLVGXYVJINJGV-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.47
Rot. Bonds1

About 2-[3-methyl-2-(trifluoromethyl)phenyl]pyrimidine

2-[3-methyl-2-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 91496892) has the molecular formula C12H9F3N2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 2-[3-methyl-2-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-[3-methyl-2-(trifluoromethyl)phenyl]pyrimidine
PubChem CID91496892
Molecular FormulaC12H9F3N2
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC Name2-[3-methyl-2-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1cccc(-c2ncccn2)c1C(F)(F)F
InChIInChI=1S/C12H9F3N2/c1-8-4-2-5-9(10(8)12(13,14)15)11-16-6-3-7-17-11/h2-7H,1H3
InChIKeyDQLVGXYVJINJGV-UHFFFAOYSA-N
XLogP3.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-2-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 2-[3-methyl-2-(trifluoromethyl)phenyl]pyrimidine (CID 91496892) is 2-[3-methyl-2-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 2-[3-methyl-2-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 2-[3-methyl-2-(trifluoromethyl)phenyl]pyrimidine is Cc1cccc(-c2ncccn2)c1C(F)(F)F.
What is the InChIKey of 2-[3-methyl-2-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is DQLVGXYVJINJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2/c1-8-4-2-5-9(10(8)12(13,14)15)11-16-6-3-7-17-11/h2-7H,1H3.
What are the key properties of 2-[3-methyl-2-(trifluoromethyl)phenyl]pyrimidine?
2-[3-methyl-2-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 238.21 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-2-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 91496892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).