2,2,2-trifluoro-1-(4-methylpyrimidin-2-yl)ethanone

C7H5F3N2O — CID 22115355

IUPAC2,2,2-trifluoro-1-(4-methylpyrimidin-2-yl)ethanone
SMILESCc1ccnc(C(=O)C(F)(F)F)n1
InChIInChI=1S/C7H5F3N2O/c1-4-2-3-11-6(12-4)5(13)7(8,9)10/h2-3H,1H3
InChIKeyKEBRTVMFXYZOLB-UHFFFAOYSA-N
MW190.12 g/mol
LogP1.53
Rot. Bonds1

About 2,2,2-trifluoro-1-(4-methylpyrimidin-2-yl)ethanone

2,2,2-trifluoro-1-(4-methylpyrimidin-2-yl)ethanone (PubChem CID 22115355) has the molecular formula C7H5F3N2O and a molecular weight of 190.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methylpyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methylpyrimidin-2-yl)ethanone
PubChem CID22115355
Molecular FormulaC7H5F3N2O
Molecular Weight190.12 g/mol
Exact Mass190.04
IUPAC Name2,2,2-trifluoro-1-(4-methylpyrimidin-2-yl)ethanone
SMILESCc1ccnc(C(=O)C(F)(F)F)n1
InChIInChI=1S/C7H5F3N2O/c1-4-2-3-11-6(12-4)5(13)7(8,9)10/h2-3H,1H3
InChIKeyKEBRTVMFXYZOLB-UHFFFAOYSA-N
XLogP1.53
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-methylpyrimidin-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-methylpyrimidin-2-yl)ethanone (CID 22115355) is 2,2,2-trifluoro-1-(4-methylpyrimidin-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methylpyrimidin-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methylpyrimidin-2-yl)ethanone is Cc1ccnc(C(=O)C(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methylpyrimidin-2-yl)ethanone?
The InChIKey is KEBRTVMFXYZOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O/c1-4-2-3-11-6(12-4)5(13)7(8,9)10/h2-3H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methylpyrimidin-2-yl)ethanone?
2,2,2-trifluoro-1-(4-methylpyrimidin-2-yl)ethanone has a molecular weight of 190.12 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-methylpyrimidin-2-yl)ethanone is sourced from PubChem (CID 22115355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).