tert-butyliminovanadium;carbanide;bis(1,1,1,3,3,3-hexafluoropropan-2-ol)

C11H16F12NO2V- — CID 162498087

IUPACtert-butyliminovanadium;carbanide;bis(1,1,1,3,3,3-hexafluoropropan-2-ol)
SMILESCC(C)(C)N=[V].OC(C(F)(F)F)C(F)(F)F.OC(C(F)(F)F)C(F)(F)F.[CH3-]
InChIInChI=1S/C4H9N.2C3H2F6O.CH3.V/c1-4(2,3)5;2*4-2(5,6)1(10)3(7,8)9;;/h1-3H3;2*1,10H;1H3;/q;;;-1;
InChIKeyGUPMTIUVIWZQSK-UHFFFAOYSA-N
MW473.17 g/mol
LogP4.91
Rot. Bonds

About tert-butyliminovanadium;carbanide;bis(1,1,1,3,3,3-hexafluoropropan-2-ol)

tert-butyliminovanadium;carbanide;bis(1,1,1,3,3,3-hexafluoropropan-2-ol) (PubChem CID 162498087) has the molecular formula C11H16F12NO2V- and a molecular weight of 473.17 g/mol. Its IUPAC name is tert-butyliminovanadium;carbanide;bis(1,1,1,3,3,3-hexafluoropropan-2-ol).

Molecular Properties

Compound Nametert-butyliminovanadium;carbanide;bis(1,1,1,3,3,3-hexafluoropropan-2-ol)
PubChem CID162498087
Molecular FormulaC11H16F12NO2V-
Molecular Weight473.17 g/mol
Exact Mass473.04
IUPAC Nametert-butyliminovanadium;carbanide;bis(1,1,1,3,3,3-hexafluoropropan-2-ol)
SMILESCC(C)(C)N=[V].OC(C(F)(F)F)C(F)(F)F.OC(C(F)(F)F)C(F)(F)F.[CH3-]
InChIInChI=1S/C4H9N.2C3H2F6O.CH3.V/c1-4(2,3)5;2*4-2(5,6)1(10)3(7,8)9;;/h1-3H3;2*1,10H;1H3;/q;;;-1;
InChIKeyGUPMTIUVIWZQSK-UHFFFAOYSA-N
XLogP4.91
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.17
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 tert-butyliminovanadium;carbanide;bis(1,1,1,3,3,3-hexafluoropropan-2-ol)?
The IUPAC name of tert-butyliminovanadium;carbanide;bis(1,1,1,3,3,3-hexafluoropropan-2-ol) (CID 162498087) is tert-butyliminovanadium;carbanide;bis(1,1,1,3,3,3-hexafluoropropan-2-ol).
What is the SMILES notation for tert-butyliminovanadium;carbanide;bis(1,1,1,3,3,3-hexafluoropropan-2-ol)?
The canonical SMILES for tert-butyliminovanadium;carbanide;bis(1,1,1,3,3,3-hexafluoropropan-2-ol) is CC(C)(C)N=[V].OC(C(F)(F)F)C(F)(F)F.OC(C(F)(F)F)C(F)(F)F.[CH3-].
What is the InChIKey of tert-butyliminovanadium;carbanide;bis(1,1,1,3,3,3-hexafluoropropan-2-ol)?
The InChIKey is GUPMTIUVIWZQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.2C3H2F6O.CH3.V/c1-4(2,3)5;2*4-2(5,6)1(10)3(7,8)9;;/h1-3H3;2*1,10H;1H3;/q;;;-1;.
What are the key properties of tert-butyliminovanadium;carbanide;bis(1,1,1,3,3,3-hexafluoropropan-2-ol)?
tert-butyliminovanadium;carbanide;bis(1,1,1,3,3,3-hexafluoropropan-2-ol) has a molecular weight of 473.17 g/mol, XLogP of 4.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyliminovanadium;carbanide;bis(1,1,1,3,3,3-hexafluoropropan-2-ol) is sourced from PubChem (CID 162498087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).