4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium

C12H12FOY- — CID 59061887

IUPAC4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium
SMILESFc1[c-]cc(C=C2CCOCC2)cc1.[Y]
InChIInChI=1S/C12H12FO.Y/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11;/h1-3,9H,5-8H2;/q-1;
InChIKeySHAZLSXEPFPQGX-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.82
Rot. Bonds1

About 4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium

4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium (PubChem CID 59061887) has the molecular formula C12H12FOY- and a molecular weight of 280.13 g/mol. Its IUPAC name is 4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium.

Molecular Properties

Compound Name4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium
PubChem CID59061887
Molecular FormulaC12H12FOY-
Molecular Weight280.13 g/mol
Exact Mass279.99
IUPAC Name4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium
SMILESFc1[c-]cc(C=C2CCOCC2)cc1.[Y]
InChIInChI=1S/C12H12FO.Y/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11;/h1-3,9H,5-8H2;/q-1;
InChIKeySHAZLSXEPFPQGX-UHFFFAOYSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.82
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 4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium?
The IUPAC name of 4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium (CID 59061887) is 4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium.
What is the SMILES notation for 4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium?
The canonical SMILES for 4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium is Fc1[c-]cc(C=C2CCOCC2)cc1.[Y].
What is the InChIKey of 4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium?
The InChIKey is SHAZLSXEPFPQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FO.Y/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11;/h1-3,9H,5-8H2;/q-1;.
What are the key properties of 4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium?
4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium has a molecular weight of 280.13 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium is sourced from PubChem (CID 59061887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).