2-quinolin-8-yloxy-N-(2,2,2-trifluoroethyl)acetamide

C13H11F3N2O2 — CID 2089905

IUPAC2-quinolin-8-yloxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1cccc2cccnc12)NCC(F)(F)F
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)8-18-11(19)7-20-10-5-1-3-9-4-2-6-17-12(9)10/h1-6H,7-8H2,(H,18,19)
InChIKeyCBXQJLBQSLHBEH-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.29
Rot. Bonds4

About 2-quinolin-8-yloxy-N-(2,2,2-trifluoroethyl)acetamide

2-quinolin-8-yloxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2089905) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-quinolin-8-yloxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-quinolin-8-yloxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2089905
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name2-quinolin-8-yloxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1cccc2cccnc12)NCC(F)(F)F
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)8-18-11(19)7-20-10-5-1-3-9-4-2-6-17-12(9)10/h1-6H,7-8H2,(H,18,19)
InChIKeyCBXQJLBQSLHBEH-UHFFFAOYSA-N
XLogP2.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-8-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-quinolin-8-yloxy-N-(2,2,2-trifluoroethyl)acetamide (CID 2089905) is 2-quinolin-8-yloxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-quinolin-8-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-quinolin-8-yloxy-N-(2,2,2-trifluoroethyl)acetamide is O=C(COc1cccc2cccnc12)NCC(F)(F)F.
What is the InChIKey of 2-quinolin-8-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CBXQJLBQSLHBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c14-13(15,16)8-18-11(19)7-20-10-5-1-3-9-4-2-6-17-12(9)10/h1-6H,7-8H2,(H,18,19).
What are the key properties of 2-quinolin-8-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
2-quinolin-8-yloxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 284.24 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-8-yloxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2089905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).