carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-yliminovanadium;2-methylpropan-2-ol

C14H25F9NO2V- — CID 162498083

IUPACcarbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-yliminovanadium;2-methylpropan-2-ol
SMILESCC(C)(C)O.CCC(C)(C)N=[V].OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[CH3-]
InChIInChI=1S/C5H11N.C4HF9O.C4H10O.CH3.V/c1-4-5(2,3)6;5-2(6,7)1(14,3(8,9)10)4(11,12)13;1-4(2,3)5;;/h4H2,1-3H3;14H;5H,1-3H3;1H3;/q;;;-1;
InChIKeyCNEZAMIGYFTBQW-UHFFFAOYSA-N
MW461.29 g/mol
LogP5.54
Rot. Bonds2

About carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-yliminovanadium;2-methylpropan-2-ol

carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-yliminovanadium;2-methylpropan-2-ol (PubChem CID 162498083) has the molecular formula C14H25F9NO2V- and a molecular weight of 461.29 g/mol. Its IUPAC name is carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-yliminovanadium;2-methylpropan-2-ol.

Molecular Properties

Compound Namecarbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-yliminovanadium;2-methylpropan-2-ol
PubChem CID162498083
Molecular FormulaC14H25F9NO2V-
Molecular Weight461.29 g/mol
Exact Mass461.12
IUPAC Namecarbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-yliminovanadium;2-methylpropan-2-ol
SMILESCC(C)(C)O.CCC(C)(C)N=[V].OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[CH3-]
InChIInChI=1S/C5H11N.C4HF9O.C4H10O.CH3.V/c1-4-5(2,3)6;5-2(6,7)1(14,3(8,9)10)4(11,12)13;1-4(2,3)5;;/h4H2,1-3H3;14H;5H,1-3H3;1H3;/q;;;-1;
InChIKeyCNEZAMIGYFTBQW-UHFFFAOYSA-N
XLogP5.54
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.29
LogP ≤ 55.54
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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Related Compounds

butan-2-yliminovanadium;carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-ol
CID 162498117
butan-2-yliminotantalum;carbanide;bis(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol)
CID 162498132
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;tetramethylazanium
CID 175151132
4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-methyloctan-3-ol
CID 151697911
1-bromo-1,1-difluoro-2-methylbutan-2-ol
CID 107139992
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;hydroxy(trimethyl)silane;zinc
CID 87619953
1,1,1,2,2,3,3-heptafluoro-4-methyloctan-4-ol
CID 154267693
[3-ethyl-1,1,1-trifluoro-2-hydroxy-2-(trifluoromethyl)pentan-3-yl] 2,2-dimethylbutanoate
CID 58545316
tris(butan-1-ol);2-methylpropan-2-ol;titanium
CID 87900186
potassium;carbanide;2-methylpropan-2-ol
CID 87884731
carbanide;2-methylpropan-2-ol;titanium
CID 174438258
carbanide;2-methylpropan-2-ol;tungsten
CID 58800760

Frequently Asked Questions

What is the IUPAC name of carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-yliminovanadium;2-methylpropan-2-ol?
The IUPAC name of carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-yliminovanadium;2-methylpropan-2-ol (CID 162498083) is carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-yliminovanadium;2-methylpropan-2-ol.
What is the SMILES notation for carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-yliminovanadium;2-methylpropan-2-ol?
The canonical SMILES for carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-yliminovanadium;2-methylpropan-2-ol is CC(C)(C)O.CCC(C)(C)N=[V].OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[CH3-].
What is the InChIKey of carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-yliminovanadium;2-methylpropan-2-ol?
The InChIKey is CNEZAMIGYFTBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C4HF9O.C4H10O.CH3.V/c1-4-5(2,3)6;5-2(6,7)1(14,3(8,9)10)4(11,12)13;1-4(2,3)5;;/h4H2,1-3H3;14H;5H,1-3H3;1H3;/q;;;-1;.
What are the key properties of carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-yliminovanadium;2-methylpropan-2-ol?
carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-yliminovanadium;2-methylpropan-2-ol has a molecular weight of 461.29 g/mol, XLogP of 5.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-yliminovanadium;2-methylpropan-2-ol is sourced from PubChem (CID 162498083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).