trifluoromethyl 3-pyrazin-2-ylpropanoate

C8H7F3N2O2 — CID 174739672

IUPACtrifluoromethyl 3-pyrazin-2-ylpropanoate
SMILESO=C(CCc1cnccn1)OC(F)(F)F
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)15-7(14)2-1-6-5-12-3-4-13-6/h3-5H,1-2H2
InChIKeyJVQGYDPSZQTDSU-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.47
Rot. Bonds3

About trifluoromethyl 3-pyrazin-2-ylpropanoate

trifluoromethyl 3-pyrazin-2-ylpropanoate (PubChem CID 174739672) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is trifluoromethyl 3-pyrazin-2-ylpropanoate.

Molecular Properties

Compound Nametrifluoromethyl 3-pyrazin-2-ylpropanoate
PubChem CID174739672
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Nametrifluoromethyl 3-pyrazin-2-ylpropanoate
SMILESO=C(CCc1cnccn1)OC(F)(F)F
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)15-7(14)2-1-6-5-12-3-4-13-6/h3-5H,1-2H2
InChIKeyJVQGYDPSZQTDSU-UHFFFAOYSA-N
XLogP1.47
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trifluoromethyl 3-pyrazin-2-ylpropanoate?
The IUPAC name of trifluoromethyl 3-pyrazin-2-ylpropanoate (CID 174739672) is trifluoromethyl 3-pyrazin-2-ylpropanoate.
What is the SMILES notation for trifluoromethyl 3-pyrazin-2-ylpropanoate?
The canonical SMILES for trifluoromethyl 3-pyrazin-2-ylpropanoate is O=C(CCc1cnccn1)OC(F)(F)F.
What is the InChIKey of trifluoromethyl 3-pyrazin-2-ylpropanoate?
The InChIKey is JVQGYDPSZQTDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)15-7(14)2-1-6-5-12-3-4-13-6/h3-5H,1-2H2.
What are the key properties of trifluoromethyl 3-pyrazin-2-ylpropanoate?
trifluoromethyl 3-pyrazin-2-ylpropanoate has a molecular weight of 220.15 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl 3-pyrazin-2-ylpropanoate is sourced from PubChem (CID 174739672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).