1-(2,4-difluorophenyl)-3,4-dihydro-1H-isoquinolin-2-ide;pyrrolidin-1-ide;yttrium

C19H20F2N2Y-2 — CID 155742081

IUPAC1-(2,4-difluorophenyl)-3,4-dihydro-1H-isoquinolin-2-ide;pyrrolidin-1-ide;yttrium
SMILESC1CC[N-]C1.Fc1ccc(C2[N-]CCc3ccccc32)c(F)c1.[Y]
InChIInChI=1S/C15H12F2N.C4H8N.Y/c16-11-5-6-13(14(17)9-11)15-12-4-2-1-3-10(12)7-8-18-15;1-2-4-5-3-1;/h1-6,9,15H,7-8H2;1-4H2;/q2*-1;
InChIKeyMECRUPUQVKZMGO-UHFFFAOYSA-N
MW403.29 g/mol
LogP5.14
Rot. Bonds1

About 1-(2,4-difluorophenyl)-3,4-dihydro-1H-isoquinolin-2-ide;pyrrolidin-1-ide;yttrium

1-(2,4-difluorophenyl)-3,4-dihydro-1H-isoquinolin-2-ide;pyrrolidin-1-ide;yttrium (PubChem CID 155742081) has the molecular formula C19H20F2N2Y-2 and a molecular weight of 403.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3,4-dihydro-1H-isoquinolin-2-ide;pyrrolidin-1-ide;yttrium.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3,4-dihydro-1H-isoquinolin-2-ide;pyrrolidin-1-ide;yttrium
PubChem CID155742081
Molecular FormulaC19H20F2N2Y-2
Molecular Weight403.29 g/mol
Exact Mass403.07
IUPAC Name1-(2,4-difluorophenyl)-3,4-dihydro-1H-isoquinolin-2-ide;pyrrolidin-1-ide;yttrium
SMILESC1CC[N-]C1.Fc1ccc(C2[N-]CCc3ccccc32)c(F)c1.[Y]
InChIInChI=1S/C15H12F2N.C4H8N.Y/c16-11-5-6-13(14(17)9-11)15-12-4-2-1-3-10(12)7-8-18-15;1-2-4-5-3-1;/h1-6,9,15H,7-8H2;1-4H2;/q2*-1;
InChIKeyMECRUPUQVKZMGO-UHFFFAOYSA-N
XLogP5.14
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.29
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3,4-dihydro-1H-isoquinolin-2-ide;pyrrolidin-1-ide;yttrium?
The IUPAC name of 1-(2,4-difluorophenyl)-3,4-dihydro-1H-isoquinolin-2-ide;pyrrolidin-1-ide;yttrium (CID 155742081) is 1-(2,4-difluorophenyl)-3,4-dihydro-1H-isoquinolin-2-ide;pyrrolidin-1-ide;yttrium.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3,4-dihydro-1H-isoquinolin-2-ide;pyrrolidin-1-ide;yttrium?
The canonical SMILES for 1-(2,4-difluorophenyl)-3,4-dihydro-1H-isoquinolin-2-ide;pyrrolidin-1-ide;yttrium is C1CC[N-]C1.Fc1ccc(C2[N-]CCc3ccccc32)c(F)c1.[Y].
What is the InChIKey of 1-(2,4-difluorophenyl)-3,4-dihydro-1H-isoquinolin-2-ide;pyrrolidin-1-ide;yttrium?
The InChIKey is MECRUPUQVKZMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N.C4H8N.Y/c16-11-5-6-13(14(17)9-11)15-12-4-2-1-3-10(12)7-8-18-15;1-2-4-5-3-1;/h1-6,9,15H,7-8H2;1-4H2;/q2*-1;.
What are the key properties of 1-(2,4-difluorophenyl)-3,4-dihydro-1H-isoquinolin-2-ide;pyrrolidin-1-ide;yttrium?
1-(2,4-difluorophenyl)-3,4-dihydro-1H-isoquinolin-2-ide;pyrrolidin-1-ide;yttrium has a molecular weight of 403.29 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3,4-dihydro-1H-isoquinolin-2-ide;pyrrolidin-1-ide;yttrium is sourced from PubChem (CID 155742081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).