2,2,2-trifluoro-N-pyrimidin-2-yl-N-(2,2,2-trifluoroacetyl)acetamide

C8H3F6N3O2 — CID 87851087

IUPAC2,2,2-trifluoro-N-pyrimidin-2-yl-N-(2,2,2-trifluoroacetyl)acetamide
SMILESO=C(N(C(=O)C(F)(F)F)c1ncccn1)C(F)(F)F
InChIInChI=1S/C8H3F6N3O2/c9-7(10,11)4(18)17(5(19)8(12,13)14)6-15-2-1-3-16-6/h1-3H
InChIKeyYANFGWGBEZOUTI-UHFFFAOYSA-N
MW287.12 g/mol
LogP1.46
Rot. Bonds1

About 2,2,2-trifluoro-N-pyrimidin-2-yl-N-(2,2,2-trifluoroacetyl)acetamide

2,2,2-trifluoro-N-pyrimidin-2-yl-N-(2,2,2-trifluoroacetyl)acetamide (PubChem CID 87851087) has the molecular formula C8H3F6N3O2 and a molecular weight of 287.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-pyrimidin-2-yl-N-(2,2,2-trifluoroacetyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-pyrimidin-2-yl-N-(2,2,2-trifluoroacetyl)acetamide
PubChem CID87851087
Molecular FormulaC8H3F6N3O2
Molecular Weight287.12 g/mol
Exact Mass287.01
IUPAC Name2,2,2-trifluoro-N-pyrimidin-2-yl-N-(2,2,2-trifluoroacetyl)acetamide
SMILESO=C(N(C(=O)C(F)(F)F)c1ncccn1)C(F)(F)F
InChIInChI=1S/C8H3F6N3O2/c9-7(10,11)4(18)17(5(19)8(12,13)14)6-15-2-1-3-16-6/h1-3H
InChIKeyYANFGWGBEZOUTI-UHFFFAOYSA-N
XLogP1.46
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-pyrimidin-2-yl-N-(2,2,2-trifluoroacetyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-pyrimidin-2-yl-N-(2,2,2-trifluoroacetyl)acetamide (CID 87851087) is 2,2,2-trifluoro-N-pyrimidin-2-yl-N-(2,2,2-trifluoroacetyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-pyrimidin-2-yl-N-(2,2,2-trifluoroacetyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-pyrimidin-2-yl-N-(2,2,2-trifluoroacetyl)acetamide is O=C(N(C(=O)C(F)(F)F)c1ncccn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-pyrimidin-2-yl-N-(2,2,2-trifluoroacetyl)acetamide?
The InChIKey is YANFGWGBEZOUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6N3O2/c9-7(10,11)4(18)17(5(19)8(12,13)14)6-15-2-1-3-16-6/h1-3H.
What are the key properties of 2,2,2-trifluoro-N-pyrimidin-2-yl-N-(2,2,2-trifluoroacetyl)acetamide?
2,2,2-trifluoro-N-pyrimidin-2-yl-N-(2,2,2-trifluoroacetyl)acetamide has a molecular weight of 287.12 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-pyrimidin-2-yl-N-(2,2,2-trifluoroacetyl)acetamide is sourced from PubChem (CID 87851087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).