oxovanadium;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol

C15H9F6NO2V — CID 135967294

IUPACoxovanadium;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol
SMILESO=[V].Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1/C=N/c1ccccc1
InChIInChI=1S/C15H9F6NO.O.V/c16-14(17,18)9-6-12(15(19,20)21)11(13(23)7-9)8-22-10-4-2-1-3-5-10;;/h1-8,23H;;/b22-8+;;
InChIKeyNUWDWOULWMOSNX-SQZQNVTESA-N
MW400.17 g/mol
LogP5.06
Rot. Bonds2

About oxovanadium;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol

oxovanadium;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol (PubChem CID 135967294) has the molecular formula C15H9F6NO2V and a molecular weight of 400.17 g/mol. Its IUPAC name is oxovanadium;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol.

Molecular Properties

Compound Nameoxovanadium;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol
PubChem CID135967294
Molecular FormulaC15H9F6NO2V
Molecular Weight400.17 g/mol
Exact Mass400.00
IUPAC Nameoxovanadium;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol
SMILESO=[V].Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1/C=N/c1ccccc1
InChIInChI=1S/C15H9F6NO.O.V/c16-14(17,18)9-6-12(15(19,20)21)11(13(23)7-9)8-22-10-4-2-1-3-5-10;;/h1-8,23H;;/b22-8+;;
InChIKeyNUWDWOULWMOSNX-SQZQNVTESA-N
XLogP5.06
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.17
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxovanadium;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol?
The IUPAC name of oxovanadium;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol (CID 135967294) is oxovanadium;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol.
What is the SMILES notation for oxovanadium;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol?
The canonical SMILES for oxovanadium;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol is O=[V].Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1/C=N/c1ccccc1.
What is the InChIKey of oxovanadium;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol?
The InChIKey is NUWDWOULWMOSNX-SQZQNVTESA-N. The full InChI is InChI=1S/C15H9F6NO.O.V/c16-14(17,18)9-6-12(15(19,20)21)11(13(23)7-9)8-22-10-4-2-1-3-5-10;;/h1-8,23H;;/b22-8+;;.
What are the key properties of oxovanadium;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol?
oxovanadium;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol has a molecular weight of 400.17 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxovanadium;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol is sourced from PubChem (CID 135967294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).