[2-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate

C8H2F6N2O4 — CID 140501911

IUPAC[2-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate
SMILESO=C(Oc1ccnc(OC(=O)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C8H2F6N2O4/c9-7(10,11)4(17)19-3-1-2-15-6(16-3)20-5(18)8(12,13)14/h1-2H
InChIKeyKYUGDFGBBINLBR-UHFFFAOYSA-N
MW304.10 g/mol
LogP1.41
Rot. Bonds2

About [2-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate

[2-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate (PubChem CID 140501911) has the molecular formula C8H2F6N2O4 and a molecular weight of 304.10 g/mol. Its IUPAC name is [2-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate
PubChem CID140501911
Molecular FormulaC8H2F6N2O4
Molecular Weight304.10 g/mol
Exact Mass303.99
IUPAC Name[2-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate
SMILESO=C(Oc1ccnc(OC(=O)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C8H2F6N2O4/c9-7(10,11)4(17)19-3-1-2-15-6(16-3)20-5(18)8(12,13)14/h1-2H
InChIKeyKYUGDFGBBINLBR-UHFFFAOYSA-N
XLogP1.41
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.10
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate (CID 140501911) is [2-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate is O=C(Oc1ccnc(OC(=O)C(F)(F)F)n1)C(F)(F)F.
What is the InChIKey of [2-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate?
The InChIKey is KYUGDFGBBINLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F6N2O4/c9-7(10,11)4(17)19-3-1-2-15-6(16-3)20-5(18)8(12,13)14/h1-2H.
What are the key properties of [2-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate?
[2-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate has a molecular weight of 304.10 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 140501911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).