3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol;carbanide;uranium(2+)

C11H14F4O2U — CID 162604224

IUPAC3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol;carbanide;uranium(2+)
SMILESC/[C-]=C\CC1=C(C)C(F)(F)C(O)(O)C1(F)F.[CH3-].[U+2]
InChIInChI=1S/C10H11F4O2.CH3.U/c1-3-4-5-7-6(2)8(11,12)10(15,16)9(7,13)14;;/h4,15-16H,5H2,1-2H3;1H3;/q2*-1;+2
InChIKeyZOECSJVGTQOZSW-UHFFFAOYSA-N
MW492.25 g/mol
LogP2.49
Rot. Bonds2

About 3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol;carbanide;uranium(2+)

3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol;carbanide;uranium(2+) (PubChem CID 162604224) has the molecular formula C11H14F4O2U and a molecular weight of 492.25 g/mol. Its IUPAC name is 3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol;carbanide;uranium(2+).

Molecular Properties

Compound Name3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol;carbanide;uranium(2+)
PubChem CID162604224
Molecular FormulaC11H14F4O2U
Molecular Weight492.25 g/mol
Exact Mass492.14
IUPAC Name3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol;carbanide;uranium(2+)
SMILESC/[C-]=C\CC1=C(C)C(F)(F)C(O)(O)C1(F)F.[CH3-].[U+2]
InChIInChI=1S/C10H11F4O2.CH3.U/c1-3-4-5-7-6(2)8(11,12)10(15,16)9(7,13)14;;/h4,15-16H,5H2,1-2H3;1H3;/q2*-1;+2
InChIKeyZOECSJVGTQOZSW-UHFFFAOYSA-N
XLogP2.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.25
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol;carbanide;uranium(2+)?
The IUPAC name of 3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol;carbanide;uranium(2+) (CID 162604224) is 3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol;carbanide;uranium(2+).
What is the SMILES notation for 3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol;carbanide;uranium(2+)?
The canonical SMILES for 3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol;carbanide;uranium(2+) is C/[C-]=C\CC1=C(C)C(F)(F)C(O)(O)C1(F)F.[CH3-].[U+2].
What is the InChIKey of 3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol;carbanide;uranium(2+)?
The InChIKey is ZOECSJVGTQOZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4O2.CH3.U/c1-3-4-5-7-6(2)8(11,12)10(15,16)9(7,13)14;;/h4,15-16H,5H2,1-2H3;1H3;/q2*-1;+2.
What are the key properties of 3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol;carbanide;uranium(2+)?
3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol;carbanide;uranium(2+) has a molecular weight of 492.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol;carbanide;uranium(2+) is sourced from PubChem (CID 162604224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).