1-[4-(trifluoromethyl)pyrimidin-5-yl]ethanone

C7H5F3N2O — CID 19074100

IUPAC1-[4-(trifluoromethyl)pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cncnc1C(F)(F)F
InChIInChI=1S/C7H5F3N2O/c1-4(13)5-2-11-3-12-6(5)7(8,9)10/h2-3H,1H3
InChIKeyYSQBLQDXYXQDJM-UHFFFAOYSA-N
MW190.12 g/mol
LogP1.70
Rot. Bonds1

About 1-[4-(trifluoromethyl)pyrimidin-5-yl]ethanone

1-[4-(trifluoromethyl)pyrimidin-5-yl]ethanone (PubChem CID 19074100) has the molecular formula C7H5F3N2O and a molecular weight of 190.12 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)pyrimidin-5-yl]ethanone
PubChem CID19074100
Molecular FormulaC7H5F3N2O
Molecular Weight190.12 g/mol
Exact Mass190.04
IUPAC Name1-[4-(trifluoromethyl)pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cncnc1C(F)(F)F
InChIInChI=1S/C7H5F3N2O/c1-4(13)5-2-11-3-12-6(5)7(8,9)10/h2-3H,1H3
InChIKeyYSQBLQDXYXQDJM-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[4-(trifluoromethyl)pyrimidin-5-yl]ethanone (CID 19074100) is 1-[4-(trifluoromethyl)pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[4-(trifluoromethyl)pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[4-(trifluoromethyl)pyrimidin-5-yl]ethanone is CC(=O)c1cncnc1C(F)(F)F.
What is the InChIKey of 1-[4-(trifluoromethyl)pyrimidin-5-yl]ethanone?
The InChIKey is YSQBLQDXYXQDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O/c1-4(13)5-2-11-3-12-6(5)7(8,9)10/h2-3H,1H3.
What are the key properties of 1-[4-(trifluoromethyl)pyrimidin-5-yl]ethanone?
1-[4-(trifluoromethyl)pyrimidin-5-yl]ethanone has a molecular weight of 190.12 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)pyrimidin-5-yl]ethanone is sourced from PubChem (CID 19074100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).