2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-2-yl]acetamide

C13H10F6N2O2 — CID 90096495

IUPAC2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-2-yl]acetamide
SMILESO=C(NC1CCc2ccccc2N1C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H10F6N2O2/c14-12(15,16)10(22)20-9-6-5-7-3-1-2-4-8(7)21(9)11(23)13(17,18)19/h1-4,9H,5-6H2,(H,20,22)
InChIKeyBZPOMQXNQPHYNC-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.53
Rot. Bonds1

About 2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-2-yl]acetamide

2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-2-yl]acetamide (PubChem CID 90096495) has the molecular formula C13H10F6N2O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-2-yl]acetamide
PubChem CID90096495
Molecular FormulaC13H10F6N2O2
Molecular Weight340.22 g/mol
Exact Mass340.06
IUPAC Name2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-2-yl]acetamide
SMILESO=C(NC1CCc2ccccc2N1C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H10F6N2O2/c14-12(15,16)10(22)20-9-6-5-7-3-1-2-4-8(7)21(9)11(23)13(17,18)19/h1-4,9H,5-6H2,(H,20,22)
InChIKeyBZPOMQXNQPHYNC-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-2-yl]acetamide 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 2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-2-yl]acetamide (CID 90096495) is 2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-2-yl]acetamide is O=C(NC1CCc2ccccc2N1C(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-2-yl]acetamide?
The InChIKey is BZPOMQXNQPHYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F6N2O2/c14-12(15,16)10(22)20-9-6-5-7-3-1-2-4-8(7)21(9)11(23)13(17,18)19/h1-4,9H,5-6H2,(H,20,22).
What are the key properties of 2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-2-yl]acetamide?
2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-2-yl]acetamide has a molecular weight of 340.22 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-2-yl]acetamide is sourced from PubChem (CID 90096495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).