1-(3,4-dihydro-2H-quinolin-1-yl)-2,2,2-trifluoroethanone

C11H10F3NO — CID 2825063

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCCc2ccccc21)C(F)(F)F
InChIInChI=1S/C11H10F3NO/c12-11(13,14)10(16)15-7-3-5-8-4-1-2-6-9(8)15/h1-2,4,6H,3,5,7H2
InChIKeyXLGFUYHYKNMRQQ-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.53
Rot. Bonds

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2,2,2-trifluoroethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 2825063) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2,2,2-trifluoroethanone
PubChem CID2825063
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCCc2ccccc21)C(F)(F)F
InChIInChI=1S/C11H10F3NO/c12-11(13,14)10(16)15-7-3-5-8-4-1-2-6-9(8)15/h1-2,4,6H,3,5,7H2
InChIKeyXLGFUYHYKNMRQQ-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2,2,2-trifluoroethanone (CID 2825063) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2,2,2-trifluoroethanone is O=C(N1CCCc2ccccc21)C(F)(F)F.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is XLGFUYHYKNMRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c12-11(13,14)10(16)15-7-3-5-8-4-1-2-6-9(8)15/h1-2,4,6H,3,5,7H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2,2,2-trifluoroethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 229.20 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 2825063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).