(2-methylpyrimidin-4-yl) 2,2,2-trifluoroacetate

C7H5F3N2O2 — CID 143824899

IUPAC(2-methylpyrimidin-4-yl) 2,2,2-trifluoroacetate
SMILESCc1nccc(OC(=O)C(F)(F)F)n1
InChIInChI=1S/C7H5F3N2O2/c1-4-11-3-2-5(12-4)14-6(13)7(8,9)10/h2-3H,1H3
InChIKeyQUDUYKMRRVYQAD-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.25
Rot. Bonds1

About (2-methylpyrimidin-4-yl) 2,2,2-trifluoroacetate

(2-methylpyrimidin-4-yl) 2,2,2-trifluoroacetate (PubChem CID 143824899) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is (2-methylpyrimidin-4-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2-methylpyrimidin-4-yl) 2,2,2-trifluoroacetate
PubChem CID143824899
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name(2-methylpyrimidin-4-yl) 2,2,2-trifluoroacetate
SMILESCc1nccc(OC(=O)C(F)(F)F)n1
InChIInChI=1S/C7H5F3N2O2/c1-4-11-3-2-5(12-4)14-6(13)7(8,9)10/h2-3H,1H3
InChIKeyQUDUYKMRRVYQAD-UHFFFAOYSA-N
XLogP1.25
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-4-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (2-methylpyrimidin-4-yl) 2,2,2-trifluoroacetate (CID 143824899) is (2-methylpyrimidin-4-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (2-methylpyrimidin-4-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (2-methylpyrimidin-4-yl) 2,2,2-trifluoroacetate is Cc1nccc(OC(=O)C(F)(F)F)n1.
What is the InChIKey of (2-methylpyrimidin-4-yl) 2,2,2-trifluoroacetate?
The InChIKey is QUDUYKMRRVYQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c1-4-11-3-2-5(12-4)14-6(13)7(8,9)10/h2-3H,1H3.
What are the key properties of (2-methylpyrimidin-4-yl) 2,2,2-trifluoroacetate?
(2-methylpyrimidin-4-yl) 2,2,2-trifluoroacetate has a molecular weight of 206.12 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-4-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 143824899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).