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

C9H12F8OY-2 — CID 58426031

IUPACfluoromethane;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-]F.[Y]
InChIInChI=1S/C8H10F7O.CH2F.Y/c1-6(11,8(14,15)16-2)4-7(12,13)5(10)3-9;1-2;/h3-4H2,1-2H3;1H2;/q2*-1;
InChIKeyZDERUEJDFRYSDS-UHFFFAOYSA-N
MW377.08 g/mol
LogP4.20
Rot. Bonds6

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

fluoromethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium (PubChem CID 58426031) has the molecular formula C9H12F8OY-2 and a molecular weight of 377.08 g/mol. Its IUPAC name is fluoromethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium.

Molecular Properties

Compound Namefluoromethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium
PubChem CID58426031
Molecular FormulaC9H12F8OY-2
Molecular Weight377.08 g/mol
Exact Mass376.98
IUPAC Namefluoromethane;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-]F.[Y]
InChIInChI=1S/C8H10F7O.CH2F.Y/c1-6(11,8(14,15)16-2)4-7(12,13)5(10)3-9;1-2;/h3-4H2,1-2H3;1H2;/q2*-1;
InChIKeyZDERUEJDFRYSDS-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.08
LogP ≤ 54.20
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 fluoromethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium?
The IUPAC name of fluoromethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium (CID 58426031) is fluoromethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium.
What is the SMILES notation for fluoromethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium?
The canonical SMILES for fluoromethane;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-]F.[Y].
What is the InChIKey of fluoromethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium?
The InChIKey is ZDERUEJDFRYSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F7O.CH2F.Y/c1-6(11,8(14,15)16-2)4-7(12,13)5(10)3-9;1-2;/h3-4H2,1-2H3;1H2;/q2*-1;.
What are the key properties of fluoromethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium?
fluoromethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium has a molecular weight of 377.08 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium is sourced from PubChem (CID 58426031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).