1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylbenzene-5-id-1-yl)ethanone;yttrium

C15H19FNOY- — CID 176600300

IUPAC1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylbenzene-5-id-1-yl)ethanone;yttrium
SMILESCC(C)c1[c-]cc(CC(=O)N2CC(C)(F)C2)cc1.[Y]
InChIInChI=1S/C15H19FNO.Y/c1-11(2)13-6-4-12(5-7-13)8-14(18)17-9-15(3,16)10-17;/h4-6,11H,8-10H2,1-3H3;/q-1;
InChIKeyLSCABKWPECGUFY-UHFFFAOYSA-N
MW337.23 g/mol
LogP2.72
Rot. Bonds3

About 1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylbenzene-5-id-1-yl)ethanone;yttrium

1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylbenzene-5-id-1-yl)ethanone;yttrium (PubChem CID 176600300) has the molecular formula C15H19FNOY- and a molecular weight of 337.23 g/mol. Its IUPAC name is 1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylbenzene-5-id-1-yl)ethanone;yttrium.

Molecular Properties

Compound Name1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylbenzene-5-id-1-yl)ethanone;yttrium
PubChem CID176600300
Molecular FormulaC15H19FNOY-
Molecular Weight337.23 g/mol
Exact Mass337.05
IUPAC Name1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylbenzene-5-id-1-yl)ethanone;yttrium
SMILESCC(C)c1[c-]cc(CC(=O)N2CC(C)(F)C2)cc1.[Y]
InChIInChI=1S/C15H19FNO.Y/c1-11(2)13-6-4-12(5-7-13)8-14(18)17-9-15(3,16)10-17;/h4-6,11H,8-10H2,1-3H3;/q-1;
InChIKeyLSCABKWPECGUFY-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylbenzene-5-id-1-yl)ethanone;yttrium?
The IUPAC name of 1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylbenzene-5-id-1-yl)ethanone;yttrium (CID 176600300) is 1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylbenzene-5-id-1-yl)ethanone;yttrium.
What is the SMILES notation for 1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylbenzene-5-id-1-yl)ethanone;yttrium?
The canonical SMILES for 1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylbenzene-5-id-1-yl)ethanone;yttrium is CC(C)c1[c-]cc(CC(=O)N2CC(C)(F)C2)cc1.[Y].
What is the InChIKey of 1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylbenzene-5-id-1-yl)ethanone;yttrium?
The InChIKey is LSCABKWPECGUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FNO.Y/c1-11(2)13-6-4-12(5-7-13)8-14(18)17-9-15(3,16)10-17;/h4-6,11H,8-10H2,1-3H3;/q-1;.
What are the key properties of 1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylbenzene-5-id-1-yl)ethanone;yttrium?
1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylbenzene-5-id-1-yl)ethanone;yttrium has a molecular weight of 337.23 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylbenzene-5-id-1-yl)ethanone;yttrium is sourced from PubChem (CID 176600300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).