pyrimidin-4-yl 2,2,2-trifluoroacetate

C6H3F3N2O2 — CID 18536671

IUPACpyrimidin-4-yl 2,2,2-trifluoroacetate
SMILESO=C(Oc1ccncn1)C(F)(F)F
InChIInChI=1S/C6H3F3N2O2/c7-6(8,9)5(12)13-4-1-2-10-3-11-4/h1-3H
InChIKeyCYGYOHIPHVMBHC-UHFFFAOYSA-N
MW192.10 g/mol
LogP0.94
Rot. Bonds1

About pyrimidin-4-yl 2,2,2-trifluoroacetate

pyrimidin-4-yl 2,2,2-trifluoroacetate (PubChem CID 18536671) has the molecular formula C6H3F3N2O2 and a molecular weight of 192.10 g/mol. Its IUPAC name is pyrimidin-4-yl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namepyrimidin-4-yl 2,2,2-trifluoroacetate
PubChem CID18536671
Molecular FormulaC6H3F3N2O2
Molecular Weight192.10 g/mol
Exact Mass192.01
IUPAC Namepyrimidin-4-yl 2,2,2-trifluoroacetate
SMILESO=C(Oc1ccncn1)C(F)(F)F
InChIInChI=1S/C6H3F3N2O2/c7-6(8,9)5(12)13-4-1-2-10-3-11-4/h1-3H
InChIKeyCYGYOHIPHVMBHC-UHFFFAOYSA-N
XLogP0.94
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-4-yl 2,2,2-trifluoroacetate?
The IUPAC name of pyrimidin-4-yl 2,2,2-trifluoroacetate (CID 18536671) is pyrimidin-4-yl 2,2,2-trifluoroacetate.
What is the SMILES notation for pyrimidin-4-yl 2,2,2-trifluoroacetate?
The canonical SMILES for pyrimidin-4-yl 2,2,2-trifluoroacetate is O=C(Oc1ccncn1)C(F)(F)F.
What is the InChIKey of pyrimidin-4-yl 2,2,2-trifluoroacetate?
The InChIKey is CYGYOHIPHVMBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2O2/c7-6(8,9)5(12)13-4-1-2-10-3-11-4/h1-3H.
What are the key properties of pyrimidin-4-yl 2,2,2-trifluoroacetate?
pyrimidin-4-yl 2,2,2-trifluoroacetate has a molecular weight of 192.10 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-4-yl 2,2,2-trifluoroacetate is sourced from PubChem (CID 18536671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).