6-ethoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde

C8H7F3N2O2 — CID 83889190

IUPAC6-ethoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde
SMILESCCOc1cc(C=O)nc(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O2/c1-2-15-6-3-5(4-14)12-7(13-6)8(9,10)11/h3-4H,2H2,1H3
InChIKeyNTXNJRRMWGAYJB-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.71
Rot. Bonds3

About 6-ethoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde

6-ethoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde (PubChem CID 83889190) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 6-ethoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-ethoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde
PubChem CID83889190
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name6-ethoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde
SMILESCCOc1cc(C=O)nc(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O2/c1-2-15-6-3-5(4-14)12-7(13-6)8(9,10)11/h3-4H,2H2,1H3
InChIKeyNTXNJRRMWGAYJB-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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 6-ethoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde?
The IUPAC name of 6-ethoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde (CID 83889190) is 6-ethoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-ethoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-ethoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde is CCOc1cc(C=O)nc(C(F)(F)F)n1.
What is the InChIKey of 6-ethoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde?
The InChIKey is NTXNJRRMWGAYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-2-15-6-3-5(4-14)12-7(13-6)8(9,10)11/h3-4H,2H2,1H3.
What are the key properties of 6-ethoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde?
6-ethoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde has a molecular weight of 220.15 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 83889190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).