5-(2,2,2-trifluoroethoxyamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C11H13F3N2O2 — CID 82710542

IUPAC5-(2,2,2-trifluoroethoxyamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NOCC(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)6-18-16-9-3-1-2-8-7(9)4-5-10(17)15-8/h4-5,9,16H,1-3,6H2,(H,15,17)
InChIKeyPWACIWOETNYYOH-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.84
Rot. Bonds3

About 5-(2,2,2-trifluoroethoxyamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-(2,2,2-trifluoroethoxyamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 82710542) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethoxyamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethoxyamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID82710542
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name5-(2,2,2-trifluoroethoxyamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NOCC(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)6-18-16-9-3-1-2-8-7(9)4-5-10(17)15-8/h4-5,9,16H,1-3,6H2,(H,15,17)
InChIKeyPWACIWOETNYYOH-UHFFFAOYSA-N
XLogP1.84
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(2,2,2-trifluoroethoxyamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethoxyamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(2,2,2-trifluoroethoxyamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 82710542) is 5-(2,2,2-trifluoroethoxyamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(2,2,2-trifluoroethoxyamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(2,2,2-trifluoroethoxyamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCCC2NOCC(F)(F)F.
What is the InChIKey of 5-(2,2,2-trifluoroethoxyamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is PWACIWOETNYYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)6-18-16-9-3-1-2-8-7(9)4-5-10(17)15-8/h4-5,9,16H,1-3,6H2,(H,15,17).
What are the key properties of 5-(2,2,2-trifluoroethoxyamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(2,2,2-trifluoroethoxyamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 262.23 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethoxyamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 82710542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).