tris(1,1,1,2,3,3-hexafluoropropan-2-olate);yttrium(3+)

C9H3F18O3Y — CID 173459707

IUPACtris(1,1,1,2,3,3-hexafluoropropan-2-olate);yttrium(3+)
SMILES[O-]C(F)(C(F)F)C(F)(F)F.[O-]C(F)(C(F)F)C(F)(F)F.[O-]C(F)(C(F)F)C(F)(F)F.[Y+3]
InChIInChI=1S/3C3HF6O.Y/c3*4-1(5)2(6,10)3(7,8)9;/h3*1H;/q3*-1;+3
InChIKeyBBJKYPJWXFWGEB-UHFFFAOYSA-N
MW589.99 g/mol
LogP2.52
Rot. Bonds3

About tris(1,1,1,2,3,3-hexafluoropropan-2-olate);yttrium(3+)

tris(1,1,1,2,3,3-hexafluoropropan-2-olate);yttrium(3+) (PubChem CID 173459707) has the molecular formula C9H3F18O3Y and a molecular weight of 589.99 g/mol. Its IUPAC name is tris(1,1,1,2,3,3-hexafluoropropan-2-olate);yttrium(3+).

Molecular Properties

Compound Nametris(1,1,1,2,3,3-hexafluoropropan-2-olate);yttrium(3+)
PubChem CID173459707
Molecular FormulaC9H3F18O3Y
Molecular Weight589.99 g/mol
Exact Mass589.89
IUPAC Nametris(1,1,1,2,3,3-hexafluoropropan-2-olate);yttrium(3+)
SMILES[O-]C(F)(C(F)F)C(F)(F)F.[O-]C(F)(C(F)F)C(F)(F)F.[O-]C(F)(C(F)F)C(F)(F)F.[Y+3]
InChIInChI=1S/3C3HF6O.Y/c3*4-1(5)2(6,10)3(7,8)9;/h3*1H;/q3*-1;+3
InChIKeyBBJKYPJWXFWGEB-UHFFFAOYSA-N
XLogP2.52
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.99
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

lithium 1,1,1,2,3,3-hexafluoropropan-2-olate
CID 87456805
2-deuteriooxy-1,1,1,2,3,3-hexafluoropropane
CID 13350569
1,1,1,2,2,3,3-heptafluoropropane;methane
CID 158693034
1,1,1,2,2,3,3-heptafluoropropane;hydrobromide
CID 175862099
1,1,1,2,2,3,3-heptafluoropropane;hydrochloride
CID 158268992
CID 172837284
CID 172837284
1,1,1,2,2-pentafluoroethane iodide
CID 157061199
1,1,1,3,3-pentafluoro-2,2-diiodopropane
CID 175825482
potassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate
CID 23686533
lithium;hydride;1,1,1,2,2-pentafluoroethane
CID 173225751
lithium 1,1,1,2,3,3,3-heptafluoropropan-2-olate
CID 88813201
sodium trifluoromethanolate
CID 23669108

Frequently Asked Questions

What is the IUPAC name of tris(1,1,1,2,3,3-hexafluoropropan-2-olate);yttrium(3+)?
The IUPAC name of tris(1,1,1,2,3,3-hexafluoropropan-2-olate);yttrium(3+) (CID 173459707) is tris(1,1,1,2,3,3-hexafluoropropan-2-olate);yttrium(3+).
What is the SMILES notation for tris(1,1,1,2,3,3-hexafluoropropan-2-olate);yttrium(3+)?
The canonical SMILES for tris(1,1,1,2,3,3-hexafluoropropan-2-olate);yttrium(3+) is [O-]C(F)(C(F)F)C(F)(F)F.[O-]C(F)(C(F)F)C(F)(F)F.[O-]C(F)(C(F)F)C(F)(F)F.[Y+3].
What is the InChIKey of tris(1,1,1,2,3,3-hexafluoropropan-2-olate);yttrium(3+)?
The InChIKey is BBJKYPJWXFWGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3HF6O.Y/c3*4-1(5)2(6,10)3(7,8)9;/h3*1H;/q3*-1;+3.
What are the key properties of tris(1,1,1,2,3,3-hexafluoropropan-2-olate);yttrium(3+)?
tris(1,1,1,2,3,3-hexafluoropropan-2-olate);yttrium(3+) has a molecular weight of 589.99 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,1,1,2,3,3-hexafluoropropan-2-olate);yttrium(3+) is sourced from PubChem (CID 173459707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).