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

C14H25F9NO2V- — CID 162498117

IUPACbutan-2-yliminovanadium;carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-ol
SMILESCCC(C)(C)O.CCC(C)N=[V].OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[CH3-]
InChIInChI=1S/C5H12O.C4HF9O.C4H9N.CH3.V/c1-4-5(2,3)6;5-2(6,7)1(14,3(8,9)10)4(11,12)13;1-3-4(2)5;;/h6H,4H2,1-3H3;14H;4H,3H2,1-2H3;1H3;/q;;;-1;
InChIKeyKSYSVTASNIVEEL-UHFFFAOYSA-N
MW461.29 g/mol
LogP5.54
Rot. Bonds3

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

butan-2-yliminovanadium;carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-ol (PubChem CID 162498117) has the molecular formula C14H25F9NO2V- and a molecular weight of 461.29 g/mol. Its IUPAC name is butan-2-yliminovanadium;carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-ol.

Molecular Properties

Compound Namebutan-2-yliminovanadium;carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-ol
PubChem CID162498117
Molecular FormulaC14H25F9NO2V-
Molecular Weight461.29 g/mol
Exact Mass461.12
IUPAC Namebutan-2-yliminovanadium;carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-ol
SMILESCCC(C)(C)O.CCC(C)N=[V].OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[CH3-]
InChIInChI=1S/C5H12O.C4HF9O.C4H9N.CH3.V/c1-4-5(2,3)6;5-2(6,7)1(14,3(8,9)10)4(11,12)13;1-3-4(2)5;;/h6H,4H2,1-3H3;14H;4H,3H2,1-2H3;1H3;/q;;;-1;
InChIKeyKSYSVTASNIVEEL-UHFFFAOYSA-N
XLogP5.54
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-yliminotantalum;carbanide;bis(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol)
CID 162498132
carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-yliminovanadium;2-methylpropan-2-ol
CID 162498083
4-ethyl-1,1,1-trifluoro-5,5-dimethylheptane-2,2-diol
CID 123178182
2-methylbutan-2-ol;3-methylbutan-2-ol
CID 87324664
3-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
CID 137421832
2,3-dimethyl-3-(trifluoromethyl)pentane
CID 129215911
sodium;hydride;bis(2-methylbutan-2-ol)
CID 174951100
methanamine;2-methylbutan-2-ol
CID 142079467
2-methyl-2-(trifluoromethyl)butane-1,1-diol
CID 162587850
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;tetramethylazanium
CID 175151132
(4S)-4-ethyl-1,1,1-trifluoro-5-methylhexane-2,2-diol
CID 147451457
2-methylbutan-2-ol;3-methylbutan-1-ol
CID 159050772

Frequently Asked Questions

What is the IUPAC name of butan-2-yliminovanadium;carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-ol?
The IUPAC name of butan-2-yliminovanadium;carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-ol (CID 162498117) is butan-2-yliminovanadium;carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-ol.
What is the SMILES notation for butan-2-yliminovanadium;carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-ol?
The canonical SMILES for butan-2-yliminovanadium;carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-ol is CCC(C)(C)O.CCC(C)N=[V].OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[CH3-].
What is the InChIKey of butan-2-yliminovanadium;carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-ol?
The InChIKey is KSYSVTASNIVEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C4HF9O.C4H9N.CH3.V/c1-4-5(2,3)6;5-2(6,7)1(14,3(8,9)10)4(11,12)13;1-3-4(2)5;;/h6H,4H2,1-3H3;14H;4H,3H2,1-2H3;1H3;/q;;;-1;.
What are the key properties of butan-2-yliminovanadium;carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-ol?
butan-2-yliminovanadium;carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-ol has a molecular weight of 461.29 g/mol, XLogP of 5.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yliminovanadium;carbanide;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2-methylbutan-2-ol is sourced from PubChem (CID 162498117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).