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

C11H13F3N2O — CID 81109227

IUPAC5-(2,2,2-trifluoroethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCC(F)(F)F
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)6-15-8-2-1-3-9-7(8)4-5-10(17)16-9/h4-5,8,15H,1-3,6H2,(H,16,17)
InChIKeyWMBOCOKGRGKWNS-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.90
Rot. Bonds2

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

5-(2,2,2-trifluoroethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 81109227) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID81109227
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name5-(2,2,2-trifluoroethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCC(F)(F)F
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)6-15-8-2-1-3-9-7(8)4-5-10(17)16-9/h4-5,8,15H,1-3,6H2,(H,16,17)
InChIKeyWMBOCOKGRGKWNS-UHFFFAOYSA-N
XLogP1.90
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(2,2,2-trifluoroethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 81109227) is 5-(2,2,2-trifluoroethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(2,2,2-trifluoroethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(2,2,2-trifluoroethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCCC2NCC(F)(F)F.
What is the InChIKey of 5-(2,2,2-trifluoroethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is WMBOCOKGRGKWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)6-15-8-2-1-3-9-7(8)4-5-10(17)16-9/h4-5,8,15H,1-3,6H2,(H,16,17).
What are the key properties of 5-(2,2,2-trifluoroethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(2,2,2-trifluoroethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 246.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 81109227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).