carbanide;1,1,2,2-tetrafluoropropoxymethyl acetate;yttrium

C7H10F4O3Y-2 — CID 59079090

IUPACcarbanide;1,1,2,2-tetrafluoropropoxymethyl acetate;yttrium
SMILES[CH2-]C(=O)OCOC(F)(F)C(C)(F)F.[CH3-].[Y]
InChIInChI=1S/C6H7F4O3.CH3.Y/c1-4(11)12-3-13-6(9,10)5(2,7)8;;/h1,3H2,2H3;1H3;/q2*-1;
InChIKeyGLJOULVESLSVPQ-UHFFFAOYSA-N
MW307.05 g/mol
LogP2.03
Rot. Bonds4

About carbanide;1,1,2,2-tetrafluoropropoxymethyl acetate;yttrium

carbanide;1,1,2,2-tetrafluoropropoxymethyl acetate;yttrium (PubChem CID 59079090) has the molecular formula C7H10F4O3Y-2 and a molecular weight of 307.05 g/mol. Its IUPAC name is carbanide;1,1,2,2-tetrafluoropropoxymethyl acetate;yttrium.

Molecular Properties

Compound Namecarbanide;1,1,2,2-tetrafluoropropoxymethyl acetate;yttrium
PubChem CID59079090
Molecular FormulaC7H10F4O3Y-2
Molecular Weight307.05 g/mol
Exact Mass306.96
IUPAC Namecarbanide;1,1,2,2-tetrafluoropropoxymethyl acetate;yttrium
SMILES[CH2-]C(=O)OCOC(F)(F)C(C)(F)F.[CH3-].[Y]
InChIInChI=1S/C6H7F4O3.CH3.Y/c1-4(11)12-3-13-6(9,10)5(2,7)8;;/h1,3H2,2H3;1H3;/q2*-1;
InChIKeyGLJOULVESLSVPQ-UHFFFAOYSA-N
XLogP2.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.05
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;1,1,2,2-tetrafluoropropoxymethyl acetate;yttrium?
The IUPAC name of carbanide;1,1,2,2-tetrafluoropropoxymethyl acetate;yttrium (CID 59079090) is carbanide;1,1,2,2-tetrafluoropropoxymethyl acetate;yttrium.
What is the SMILES notation for carbanide;1,1,2,2-tetrafluoropropoxymethyl acetate;yttrium?
The canonical SMILES for carbanide;1,1,2,2-tetrafluoropropoxymethyl acetate;yttrium is [CH2-]C(=O)OCOC(F)(F)C(C)(F)F.[CH3-].[Y].
What is the InChIKey of carbanide;1,1,2,2-tetrafluoropropoxymethyl acetate;yttrium?
The InChIKey is GLJOULVESLSVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4O3.CH3.Y/c1-4(11)12-3-13-6(9,10)5(2,7)8;;/h1,3H2,2H3;1H3;/q2*-1;.
What are the key properties of carbanide;1,1,2,2-tetrafluoropropoxymethyl acetate;yttrium?
carbanide;1,1,2,2-tetrafluoropropoxymethyl acetate;yttrium has a molecular weight of 307.05 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1,1,2,2-tetrafluoropropoxymethyl acetate;yttrium is sourced from PubChem (CID 59079090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).