2,3-difluorobuta-1,3-diene;yttrium

C4H2F2Y-2 — CID 59456342

IUPAC2,3-difluorobuta-1,3-diene;yttrium
SMILES[H]/[C-]=C(F)/C(F)=[C-]/[H].[Y]
InChIInChI=1S/C4H2F2.Y/c1-3(5)4(2)6;/h1-2H;/q-2;
InChIKeySQODLWLCWORDHE-UHFFFAOYSA-N
MW176.96 g/mol
LogP1.56
Rot. Bonds1

About 2,3-difluorobuta-1,3-diene;yttrium

2,3-difluorobuta-1,3-diene;yttrium (PubChem CID 59456342) has the molecular formula C4H2F2Y-2 and a molecular weight of 176.96 g/mol. Its IUPAC name is 2,3-difluorobuta-1,3-diene;yttrium.

Molecular Properties

Compound Name2,3-difluorobuta-1,3-diene;yttrium
PubChem CID59456342
Molecular FormulaC4H2F2Y-2
Molecular Weight176.96 g/mol
Exact Mass176.92
IUPAC Name2,3-difluorobuta-1,3-diene;yttrium
SMILES[H]/[C-]=C(F)/C(F)=[C-]/[H].[Y]
InChIInChI=1S/C4H2F2.Y/c1-3(5)4(2)6;/h1-2H;/q-2;
InChIKeySQODLWLCWORDHE-UHFFFAOYSA-N
XLogP1.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.96
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluorobuta-1,3-diene;yttrium?
The IUPAC name of 2,3-difluorobuta-1,3-diene;yttrium (CID 59456342) is 2,3-difluorobuta-1,3-diene;yttrium.
What is the SMILES notation for 2,3-difluorobuta-1,3-diene;yttrium?
The canonical SMILES for 2,3-difluorobuta-1,3-diene;yttrium is [H]/[C-]=C(F)/C(F)=[C-]/[H].[Y].
What is the InChIKey of 2,3-difluorobuta-1,3-diene;yttrium?
The InChIKey is SQODLWLCWORDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F2.Y/c1-3(5)4(2)6;/h1-2H;/q-2;.
What are the key properties of 2,3-difluorobuta-1,3-diene;yttrium?
2,3-difluorobuta-1,3-diene;yttrium has a molecular weight of 176.96 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluorobuta-1,3-diene;yttrium is sourced from PubChem (CID 59456342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).