bis(2,2,3,3,3-pentafluoropropan-1-ol);zinc

C6H6F10O2Zn — CID 22386022

IUPACbis(2,2,3,3,3-pentafluoropropan-1-ol);zinc
SMILESOCC(F)(F)C(F)(F)F.OCC(F)(F)C(F)(F)F.[Zn]
InChIInChI=1S/2C3H3F5O.Zn/c2*4-2(5,1-9)3(6,7)8;/h2*9H,1H2;
InChIKeyXOJQBUHWNNVYAD-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.35
Rot. Bonds2

About bis(2,2,3,3,3-pentafluoropropan-1-ol);zinc

bis(2,2,3,3,3-pentafluoropropan-1-ol);zinc (PubChem CID 22386022) has the molecular formula C6H6F10O2Zn and a molecular weight of 365.48 g/mol. Its IUPAC name is bis(2,2,3,3,3-pentafluoropropan-1-ol);zinc.

Molecular Properties

Compound Namebis(2,2,3,3,3-pentafluoropropan-1-ol);zinc
PubChem CID22386022
Molecular FormulaC6H6F10O2Zn
Molecular Weight365.48 g/mol
Exact Mass363.95
IUPAC Namebis(2,2,3,3,3-pentafluoropropan-1-ol);zinc
SMILESOCC(F)(F)C(F)(F)F.OCC(F)(F)C(F)(F)F.[Zn]
InChIInChI=1S/2C3H3F5O.Zn/c2*4-2(5,1-9)3(6,7)8;/h2*9H,1H2;
InChIKeyXOJQBUHWNNVYAD-UHFFFAOYSA-N
XLogP2.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,3,3,3-pentafluoropropan-1-ol);zinc?
The IUPAC name of bis(2,2,3,3,3-pentafluoropropan-1-ol);zinc (CID 22386022) is bis(2,2,3,3,3-pentafluoropropan-1-ol);zinc.
What is the SMILES notation for bis(2,2,3,3,3-pentafluoropropan-1-ol);zinc?
The canonical SMILES for bis(2,2,3,3,3-pentafluoropropan-1-ol);zinc is OCC(F)(F)C(F)(F)F.OCC(F)(F)C(F)(F)F.[Zn].
What is the InChIKey of bis(2,2,3,3,3-pentafluoropropan-1-ol);zinc?
The InChIKey is XOJQBUHWNNVYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3F5O.Zn/c2*4-2(5,1-9)3(6,7)8;/h2*9H,1H2;.
What are the key properties of bis(2,2,3,3,3-pentafluoropropan-1-ol);zinc?
bis(2,2,3,3,3-pentafluoropropan-1-ol);zinc has a molecular weight of 365.48 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,3,3,3-pentafluoropropan-1-ol);zinc is sourced from PubChem (CID 22386022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).