[2-[(2,2,2-trifluoroacetyl)amino]-6-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate

C10H2F9N3O5 — CID 91695363

IUPAC[2-[(2,2,2-trifluoroacetyl)amino]-6-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate
SMILESO=C(Nc1nc(OC(=O)C(F)(F)F)cc(OC(=O)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C10H2F9N3O5/c11-8(12,13)4(23)22-7-20-2(26-5(24)9(14,15)16)1-3(21-7)27-6(25)10(17,18)19/h1H,(H,20,21,22,23)
InChIKeyCGILXSBSUZVUGR-UHFFFAOYSA-N
MW415.12 g/mol
LogP1.91
Rot. Bonds3

About [2-[(2,2,2-trifluoroacetyl)amino]-6-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate

[2-[(2,2,2-trifluoroacetyl)amino]-6-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate (PubChem CID 91695363) has the molecular formula C10H2F9N3O5 and a molecular weight of 415.12 g/mol. Its IUPAC name is [2-[(2,2,2-trifluoroacetyl)amino]-6-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-[(2,2,2-trifluoroacetyl)amino]-6-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate
PubChem CID91695363
Molecular FormulaC10H2F9N3O5
Molecular Weight415.12 g/mol
Exact Mass414.99
IUPAC Name[2-[(2,2,2-trifluoroacetyl)amino]-6-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate
SMILESO=C(Nc1nc(OC(=O)C(F)(F)F)cc(OC(=O)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C10H2F9N3O5/c11-8(12,13)4(23)22-7-20-2(26-5(24)9(14,15)16)1-3(21-7)27-6(25)10(17,18)19/h1H,(H,20,21,22,23)
InChIKeyCGILXSBSUZVUGR-UHFFFAOYSA-N
XLogP1.91
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.12
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,2,2-trifluoroacetyl)amino]-6-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-[(2,2,2-trifluoroacetyl)amino]-6-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate (CID 91695363) is [2-[(2,2,2-trifluoroacetyl)amino]-6-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-[(2,2,2-trifluoroacetyl)amino]-6-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-[(2,2,2-trifluoroacetyl)amino]-6-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate is O=C(Nc1nc(OC(=O)C(F)(F)F)cc(OC(=O)C(F)(F)F)n1)C(F)(F)F.
What is the InChIKey of [2-[(2,2,2-trifluoroacetyl)amino]-6-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate?
The InChIKey is CGILXSBSUZVUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F9N3O5/c11-8(12,13)4(23)22-7-20-2(26-5(24)9(14,15)16)1-3(21-7)27-6(25)10(17,18)19/h1H,(H,20,21,22,23).
What are the key properties of [2-[(2,2,2-trifluoroacetyl)amino]-6-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate?
[2-[(2,2,2-trifluoroacetyl)amino]-6-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate has a molecular weight of 415.12 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,2,2-trifluoroacetyl)amino]-6-(2,2,2-trifluoroacetyl)oxypyrimidin-4-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 91695363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).