1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

C14H16F3NO3 — CID 103879674

IUPAC1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)(F)F)N1CCCc2cccc(O)c21
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)9-21-8-6-12(20)18-7-2-4-10-3-1-5-11(19)13(10)18/h1,3,5,19H,2,4,6-9H2
InChIKeyNYFZNAZPESDSQV-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.64
Rot. Bonds4

About 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 103879674) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID103879674
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)(F)F)N1CCCc2cccc(O)c21
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)9-21-8-6-12(20)18-7-2-4-10-3-1-5-11(19)13(10)18/h1,3,5,19H,2,4,6-9H2
InChIKeyNYFZNAZPESDSQV-UHFFFAOYSA-N
XLogP2.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one (CID 103879674) is 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one is O=C(CCOCC(F)(F)F)N1CCCc2cccc(O)c21.
What is the InChIKey of 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is NYFZNAZPESDSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c15-14(16,17)9-21-8-6-12(20)18-7-2-4-10-3-1-5-11(19)13(10)18/h1,3,5,19H,2,4,6-9H2.
What are the key properties of 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 303.28 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 103879674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).