ethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium

C10H15F7OY-2 — CID 58426037

IUPACethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium
SMILESCOC(F)(F)C(C)(F)CC(F)(F)[C-](F)CF.[CH2-]C.[Y]
InChIInChI=1S/C8H10F7O.C2H5.Y/c1-6(11,8(14,15)16-2)4-7(12,13)5(10)3-9;1-2;/h3-4H2,1-2H3;1H2,2H3;/q2*-1;
InChIKeySQYVNQZUJNPNTK-UHFFFAOYSA-N
MW373.12 g/mol
LogP4.29
Rot. Bonds6

About ethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium

ethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium (PubChem CID 58426037) has the molecular formula C10H15F7OY-2 and a molecular weight of 373.12 g/mol. Its IUPAC name is ethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium.

Molecular Properties

Compound Nameethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium
PubChem CID58426037
Molecular FormulaC10H15F7OY-2
Molecular Weight373.12 g/mol
Exact Mass373.01
IUPAC Nameethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium
SMILESCOC(F)(F)C(C)(F)CC(F)(F)[C-](F)CF.[CH2-]C.[Y]
InChIInChI=1S/C8H10F7O.C2H5.Y/c1-6(11,8(14,15)16-2)4-7(12,13)5(10)3-9;1-2;/h3-4H2,1-2H3;1H2,2H3;/q2*-1;
InChIKeySQYVNQZUJNPNTK-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.12
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium?
The IUPAC name of ethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium (CID 58426037) is ethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium.
What is the SMILES notation for ethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium?
The canonical SMILES for ethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium is COC(F)(F)C(C)(F)CC(F)(F)[C-](F)CF.[CH2-]C.[Y].
What is the InChIKey of ethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium?
The InChIKey is SQYVNQZUJNPNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F7O.C2H5.Y/c1-6(11,8(14,15)16-2)4-7(12,13)5(10)3-9;1-2;/h3-4H2,1-2H3;1H2,2H3;/q2*-1;.
What are the key properties of ethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium?
ethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium has a molecular weight of 373.12 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium is sourced from PubChem (CID 58426037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).