dichloro(phenylimino)tungsten;bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol)

C14H13Cl2F12NO2W — CID 135046997

IUPACdichloro(phenylimino)tungsten;bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol)
SMILESCC(O)(C(F)(F)F)C(F)(F)F.CC(O)(C(F)(F)F)C(F)(F)F.Cl[W](Cl)=Nc1ccccc1
InChIInChI=1S/C6H5N.2C4H4F6O.2ClH.W/c7-6-4-2-1-3-5-6;2*1-2(11,3(5,6)7)4(8,9)10;;;/h1-5H;2*11H,1H3;2*1H;/q;;;;;+2/p-2
InChIKeyXJMZCIPDDHETSB-UHFFFAOYSA-L
MW709.98 g/mol
LogP7.15
Rot. Bonds1

About dichloro(phenylimino)tungsten;bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol)

dichloro(phenylimino)tungsten;bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol) (PubChem CID 135046997) has the molecular formula C14H13Cl2F12NO2W and a molecular weight of 709.98 g/mol. Its IUPAC name is dichloro(phenylimino)tungsten;bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol).

Molecular Properties

Compound Namedichloro(phenylimino)tungsten;bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol)
PubChem CID135046997
Molecular FormulaC14H13Cl2F12NO2W
Molecular Weight709.98 g/mol
Exact Mass708.96
IUPAC Namedichloro(phenylimino)tungsten;bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol)
SMILESCC(O)(C(F)(F)F)C(F)(F)F.CC(O)(C(F)(F)F)C(F)(F)F.Cl[W](Cl)=Nc1ccccc1
InChIInChI=1S/C6H5N.2C4H4F6O.2ClH.W/c7-6-4-2-1-3-5-6;2*1-2(11,3(5,6)7)4(8,9)10;;;/h1-5H;2*11H,1H3;2*1H;/q;;;;;+2/p-2
InChIKeyXJMZCIPDDHETSB-UHFFFAOYSA-L
XLogP7.15
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.98
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of dichloro(phenylimino)tungsten;bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol)?
The IUPAC name of dichloro(phenylimino)tungsten;bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol) (CID 135046997) is dichloro(phenylimino)tungsten;bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol).
What is the SMILES notation for dichloro(phenylimino)tungsten;bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol)?
The canonical SMILES for dichloro(phenylimino)tungsten;bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol) is CC(O)(C(F)(F)F)C(F)(F)F.CC(O)(C(F)(F)F)C(F)(F)F.Cl[W](Cl)=Nc1ccccc1.
What is the InChIKey of dichloro(phenylimino)tungsten;bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol)?
The InChIKey is XJMZCIPDDHETSB-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H5N.2C4H4F6O.2ClH.W/c7-6-4-2-1-3-5-6;2*1-2(11,3(5,6)7)4(8,9)10;;;/h1-5H;2*11H,1H3;2*1H;/q;;;;;+2/p-2.
What are the key properties of dichloro(phenylimino)tungsten;bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol)?
dichloro(phenylimino)tungsten;bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol) has a molecular weight of 709.98 g/mol, XLogP of 7.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(phenylimino)tungsten;bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol) is sourced from PubChem (CID 135046997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).