3-fluorophenol;zirconium(2+);dichloride

C6H5Cl2FOZr — CID 174390857

IUPAC3-fluorophenol;zirconium(2+);dichloride
SMILESOc1cccc(F)c1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C6H5FO.2ClH.Zr/c7-5-2-1-3-6(8)4-5;;;/h1-4,8H;2*1H;/q;;;+2/p-2
InChIKeyPDDLXGFMLFFKBP-UHFFFAOYSA-L
MW274.23 g/mol
LogP-4.46
Rot. Bonds

About 3-fluorophenol;zirconium(2+);dichloride

3-fluorophenol;zirconium(2+);dichloride (PubChem CID 174390857) has the molecular formula C6H5Cl2FOZr and a molecular weight of 274.23 g/mol. Its IUPAC name is 3-fluorophenol;zirconium(2+);dichloride.

Molecular Properties

Compound Name3-fluorophenol;zirconium(2+);dichloride
PubChem CID174390857
Molecular FormulaC6H5Cl2FOZr
Molecular Weight274.23 g/mol
Exact Mass271.87
IUPAC Name3-fluorophenol;zirconium(2+);dichloride
SMILESOc1cccc(F)c1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C6H5FO.2ClH.Zr/c7-5-2-1-3-6(8)4-5;;;/h1-4,8H;2*1H;/q;;;+2/p-2
InChIKeyPDDLXGFMLFFKBP-UHFFFAOYSA-L
XLogP-4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 5-4.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Hydroquinone
CID 785
Phenol
CID 996
Nitrophenols
CID 88473196
4-Iodophenol
CID 10894
4-Fluorophenol
CID 9732
2-Iodophenol
CID 10784
2-Fluorophenol
CID 9707
Mercufenol Chloride
CID 6999
Sodium phenoxide
CID 66602278
3,5-Difluorophenol
CID 75928
3-Fluorophenol
CID 9743
3-Iodophenol
CID 12272

Frequently Asked Questions

What is the IUPAC name of 3-fluorophenol;zirconium(2+);dichloride?
The IUPAC name of 3-fluorophenol;zirconium(2+);dichloride (CID 174390857) is 3-fluorophenol;zirconium(2+);dichloride.
What is the SMILES notation for 3-fluorophenol;zirconium(2+);dichloride?
The canonical SMILES for 3-fluorophenol;zirconium(2+);dichloride is Oc1cccc(F)c1.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of 3-fluorophenol;zirconium(2+);dichloride?
The InChIKey is PDDLXGFMLFFKBP-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H5FO.2ClH.Zr/c7-5-2-1-3-6(8)4-5;;;/h1-4,8H;2*1H;/q;;;+2/p-2.
What are the key properties of 3-fluorophenol;zirconium(2+);dichloride?
3-fluorophenol;zirconium(2+);dichloride has a molecular weight of 274.23 g/mol, XLogP of -4.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorophenol;zirconium(2+);dichloride is sourced from PubChem (CID 174390857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).