4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium(3+)

C12H12FOY+2 — CID 20583143

IUPAC4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium(3+)
SMILESFc1[c-]cc(C=C2CCOCC2)cc1.[Y+3]
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;+3
InChIKeyAXNQISOBPZISRD-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.82
Rot. Bonds1

About 4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium(3+)

4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium(3+) (PubChem CID 20583143) has the molecular formula C12H12FOY+2 and a molecular weight of 280.13 g/mol. Its IUPAC name is 4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium(3+).

Molecular Properties

Compound Name4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium(3+)
PubChem CID20583143
Molecular FormulaC12H12FOY+2
Molecular Weight280.13 g/mol
Exact Mass279.99
IUPAC Name4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium(3+)
SMILESFc1[c-]cc(C=C2CCOCC2)cc1.[Y+3]
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;+3
InChIKeyAXNQISOBPZISRD-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(3+)?
The IUPAC name of 4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium(3+) (CID 20583143) is 4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium(3+).
What is the SMILES notation for 4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium(3+)?
The canonical SMILES for 4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium(3+) is Fc1[c-]cc(C=C2CCOCC2)cc1.[Y+3].
What is the InChIKey of 4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium(3+)?
The InChIKey is AXNQISOBPZISRD-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;+3.
What are the key properties of 4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium(3+)?
4-[(4-fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium(3+) 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(3+) is sourced from PubChem (CID 20583143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).