1-[2-(trifluoromethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione

C12H12F3NO3 — CID 81108923

IUPAC1-[2-(trifluoromethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCOC(F)(F)F
InChIInChI=1S/C12H12F3NO3/c13-12(14,15)19-7-6-16-9-2-1-3-10(17)8(9)4-5-11(16)18/h4-5H,1-3,6-7H2
InChIKeyOWOKKXONDRCRKS-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.90
Rot. Bonds3

About 1-[2-(trifluoromethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione

1-[2-(trifluoromethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81108923) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81108923
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Name1-[2-(trifluoromethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCOC(F)(F)F
InChIInChI=1S/C12H12F3NO3/c13-12(14,15)19-7-6-16-9-2-1-3-10(17)8(9)4-5-11(16)18/h4-5H,1-3,6-7H2
InChIKeyOWOKKXONDRCRKS-UHFFFAOYSA-N
XLogP1.90
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2,5-dioxo-4-(trifluoromethyl)-7,8-dihydro-6H-quinolin-1-yl]acetate
CID 2739718
N-ethyl-5-oxo-5,6,7,8-tetrahydrocarbostyril
CID 12229996
1-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 3647550
1-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 156504687
1-(2,2-difluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81104270
1-(2,2,2-trifluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81104411
1-(3,3,3-trifluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81104970
1-(3-fluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81106487
1-(2-fluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109165
1-[2-(2,2,2-trifluoroethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109373
1-[3-(2,2,2-trifluoroethoxy)propyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81115277
ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetate
CID 81298681

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-[2-(trifluoromethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione (CID 81108923) is 1-[2-(trifluoromethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-[2-(trifluoromethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-[2-(trifluoromethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione is O=C1CCCc2c1ccc(=O)n2CCOC(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is OWOKKXONDRCRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c13-12(14,15)19-7-6-16-9-2-1-3-10(17)8(9)4-5-11(16)18/h4-5H,1-3,6-7H2.
What are the key properties of 1-[2-(trifluoromethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione?
1-[2-(trifluoromethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 275.23 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81108923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).