4-(2,2,2-trifluoroethoxy)quinazoline-6-carbaldehyde

C11H7F3N2O2 — CID 175818168

IUPAC4-(2,2,2-trifluoroethoxy)quinazoline-6-carbaldehyde
SMILESO=Cc1ccc2ncnc(OCC(F)(F)F)c2c1
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)5-18-10-8-3-7(4-17)1-2-9(8)15-6-16-10/h1-4,6H,5H2
InChIKeyRYRASRWUEFBEGD-UHFFFAOYSA-N
MW256.18 g/mol
LogP2.38
Rot. Bonds3

About 4-(2,2,2-trifluoroethoxy)quinazoline-6-carbaldehyde

4-(2,2,2-trifluoroethoxy)quinazoline-6-carbaldehyde (PubChem CID 175818168) has the molecular formula C11H7F3N2O2 and a molecular weight of 256.18 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)quinazoline-6-carbaldehyde.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)quinazoline-6-carbaldehyde
PubChem CID175818168
Molecular FormulaC11H7F3N2O2
Molecular Weight256.18 g/mol
Exact Mass256.05
IUPAC Name4-(2,2,2-trifluoroethoxy)quinazoline-6-carbaldehyde
SMILESO=Cc1ccc2ncnc(OCC(F)(F)F)c2c1
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)5-18-10-8-3-7(4-17)1-2-9(8)15-6-16-10/h1-4,6H,5H2
InChIKeyRYRASRWUEFBEGD-UHFFFAOYSA-N
XLogP2.38
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 52.38
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 4-(2,2,2-trifluoroethoxy)quinazoline-6-carbaldehyde?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)quinazoline-6-carbaldehyde (CID 175818168) is 4-(2,2,2-trifluoroethoxy)quinazoline-6-carbaldehyde.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)quinazoline-6-carbaldehyde?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)quinazoline-6-carbaldehyde is O=Cc1ccc2ncnc(OCC(F)(F)F)c2c1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)quinazoline-6-carbaldehyde?
The InChIKey is RYRASRWUEFBEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2/c12-11(13,14)5-18-10-8-3-7(4-17)1-2-9(8)15-6-16-10/h1-4,6H,5H2.
What are the key properties of 4-(2,2,2-trifluoroethoxy)quinazoline-6-carbaldehyde?
4-(2,2,2-trifluoroethoxy)quinazoline-6-carbaldehyde has a molecular weight of 256.18 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)quinazoline-6-carbaldehyde is sourced from PubChem (CID 175818168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).