1,1,1,2,2,3-hexafluoropentane;zirconium(2+)

C5H6F6Zr+2 — CID 19359359

IUPAC1,1,1,2,2,3-hexafluoropentane;zirconium(2+)
SMILESCCC(F)C(F)(F)C(F)(F)F.[Zr+2]
InChIInChI=1S/C5H6F6.Zr/c1-2-3(6)4(7,8)5(9,10)11;/h3H,2H2,1H3;/q;+2
InChIKeyMOLOWLPQETVSMM-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.93
Rot. Bonds2

About 1,1,1,2,2,3-hexafluoropentane;zirconium(2+)

1,1,1,2,2,3-hexafluoropentane;zirconium(2+) (PubChem CID 19359359) has the molecular formula C5H6F6Zr+2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 1,1,1,2,2,3-hexafluoropentane;zirconium(2+).

Molecular Properties

Compound Name1,1,1,2,2,3-hexafluoropentane;zirconium(2+)
PubChem CID19359359
Molecular FormulaC5H6F6Zr+2
Molecular Weight271.31 g/mol
Exact Mass269.94
IUPAC Name1,1,1,2,2,3-hexafluoropentane;zirconium(2+)
SMILESCCC(F)C(F)(F)C(F)(F)F.[Zr+2]
InChIInChI=1S/C5H6F6.Zr/c1-2-3(6)4(7,8)5(9,10)11;/h3H,2H2,1H3;/q;+2
InChIKeyMOLOWLPQETVSMM-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,4,5,5,6,6,7-nonafluorononane
CID 175510565
3,4,4-trifluoroheptane;hydrofluoride
CID 90932672
(3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane
CID 97291038
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-1-(1,1,2,2,3,3,4,4,5,5,6-undecafluorooctoxy)octane
CID 139622993
1,1,2-trifluorobutan-1-amine;hydroiodide
CID 138607345
3,3,4,4,5-pentafluoroheptanoic acid
CID 87292371
1,1,1,2,3,3,4,5-octafluoro-4-(trifluoromethyl)heptan-2-ol
CID 162347256
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl(trimethoxy)silane
CID 54245041
1,1,2,2,3,3,4,4,5,5,6-undecafluorooctane-1-sulfonic acid
CID 122480896
1,1,2,2,3-pentafluoropentane-1-sulfonate;tetraethylazanium
CID 122481508
1,1,2,2,3-pentafluoropentyl 2,2,2-trifluoroethaneperoxoate
CID 19880908
3-ethyl-1,1,1,2,2,3,4,5,5,6,6,6-dodecafluorohexane
CID 145149562

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3-hexafluoropentane;zirconium(2+)?
The IUPAC name of 1,1,1,2,2,3-hexafluoropentane;zirconium(2+) (CID 19359359) is 1,1,1,2,2,3-hexafluoropentane;zirconium(2+).
What is the SMILES notation for 1,1,1,2,2,3-hexafluoropentane;zirconium(2+)?
The canonical SMILES for 1,1,1,2,2,3-hexafluoropentane;zirconium(2+) is CCC(F)C(F)(F)C(F)(F)F.[Zr+2].
What is the InChIKey of 1,1,1,2,2,3-hexafluoropentane;zirconium(2+)?
The InChIKey is MOLOWLPQETVSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6.Zr/c1-2-3(6)4(7,8)5(9,10)11;/h3H,2H2,1H3;/q;+2.
What are the key properties of 1,1,1,2,2,3-hexafluoropentane;zirconium(2+)?
1,1,1,2,2,3-hexafluoropentane;zirconium(2+) has a molecular weight of 271.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3-hexafluoropentane;zirconium(2+) is sourced from PubChem (CID 19359359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).