1-[3-(trifluoromethyl)pyrazin-2-yl]ethyl formate

C8H7F3N2O2 — CID 175609187

IUPAC1-[3-(trifluoromethyl)pyrazin-2-yl]ethyl formate
SMILESCC(OC=O)c1nccnc1C(F)(F)F
InChIInChI=1S/C8H7F3N2O2/c1-5(15-4-14)6-7(8(9,10)11)13-3-2-12-6/h2-5H,1H3
InChIKeyCKXAMPLEDSJECJ-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.73
Rot. Bonds3

About 1-[3-(trifluoromethyl)pyrazin-2-yl]ethyl formate

1-[3-(trifluoromethyl)pyrazin-2-yl]ethyl formate (PubChem CID 175609187) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)pyrazin-2-yl]ethyl formate.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)pyrazin-2-yl]ethyl formate
PubChem CID175609187
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name1-[3-(trifluoromethyl)pyrazin-2-yl]ethyl formate
SMILESCC(OC=O)c1nccnc1C(F)(F)F
InChIInChI=1S/C8H7F3N2O2/c1-5(15-4-14)6-7(8(9,10)11)13-3-2-12-6/h2-5H,1H3
InChIKeyCKXAMPLEDSJECJ-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)pyrazin-2-yl]ethyl formate?
The IUPAC name of 1-[3-(trifluoromethyl)pyrazin-2-yl]ethyl formate (CID 175609187) is 1-[3-(trifluoromethyl)pyrazin-2-yl]ethyl formate.
What is the SMILES notation for 1-[3-(trifluoromethyl)pyrazin-2-yl]ethyl formate?
The canonical SMILES for 1-[3-(trifluoromethyl)pyrazin-2-yl]ethyl formate is CC(OC=O)c1nccnc1C(F)(F)F.
What is the InChIKey of 1-[3-(trifluoromethyl)pyrazin-2-yl]ethyl formate?
The InChIKey is CKXAMPLEDSJECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-5(15-4-14)6-7(8(9,10)11)13-3-2-12-6/h2-5H,1H3.
What are the key properties of 1-[3-(trifluoromethyl)pyrazin-2-yl]ethyl formate?
1-[3-(trifluoromethyl)pyrazin-2-yl]ethyl formate has a molecular weight of 220.15 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)pyrazin-2-yl]ethyl formate is sourced from PubChem (CID 175609187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).