1-[3-(2,2,2-trifluoroethoxy)propyl]-7,8-dihydro-6H-quinoline-2,5-dione

C14H16F3NO3 — CID 81115277

IUPAC1-[3-(2,2,2-trifluoroethoxy)propyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCCOCC(F)(F)F
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)9-21-8-2-7-18-11-3-1-4-12(19)10(11)5-6-13(18)20/h5-6H,1-4,7-9H2
InChIKeyAFZBMAVNOBGSKM-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.34
Rot. Bonds5

About 1-[3-(2,2,2-trifluoroethoxy)propyl]-7,8-dihydro-6H-quinoline-2,5-dione

1-[3-(2,2,2-trifluoroethoxy)propyl]-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81115277) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethoxy)propyl]-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethoxy)propyl]-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81115277
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name1-[3-(2,2,2-trifluoroethoxy)propyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCCOCC(F)(F)F
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)9-21-8-2-7-18-11-3-1-4-12(19)10(11)5-6-13(18)20/h5-6H,1-4,7-9H2
InChIKeyAFZBMAVNOBGSKM-UHFFFAOYSA-N
XLogP2.34
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(2,2,2-trifluoroethoxy)propyl]-7,8-dihydro-6H-quinoline-2,5-dione with MolForge

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Related Compounds

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-(trifluoromethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81108923
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
(7S)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 97036574
(7R)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 97036575

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propyl]-7,8-dihydro-6H-quinoline-2,5-dione (CID 81115277) is 1-[3-(2,2,2-trifluoroethoxy)propyl]-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethoxy)propyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethoxy)propyl]-7,8-dihydro-6H-quinoline-2,5-dione is O=C1CCCc2c1ccc(=O)n2CCCOCC(F)(F)F.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethoxy)propyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is AFZBMAVNOBGSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c15-14(16,17)9-21-8-2-7-18-11-3-1-4-12(19)10(11)5-6-13(18)20/h5-6H,1-4,7-9H2.
What are the key properties of 1-[3-(2,2,2-trifluoroethoxy)propyl]-7,8-dihydro-6H-quinoline-2,5-dione?
1-[3-(2,2,2-trifluoroethoxy)propyl]-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 303.28 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethoxy)propyl]-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81115277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).