lithium 2-(2,2,2-trifluoroethoxy)propan-1-olate

C5H8F3LiO2 — CID 175980024

IUPAClithium 2-(2,2,2-trifluoroethoxy)propan-1-olate
SMILESCC(C[O-])OCC(F)(F)F.[Li+]
InChIInChI=1S/C5H8F3O2.Li/c1-4(2-9)10-3-5(6,7)8;/h4H,2-3H2,1H3;/q-1;+1
InChIKeyCQAYBGAXHWVXIC-UHFFFAOYSA-N
MW164.05 g/mol
LogP-2.68
Rot. Bonds3

About lithium 2-(2,2,2-trifluoroethoxy)propan-1-olate

lithium 2-(2,2,2-trifluoroethoxy)propan-1-olate (PubChem CID 175980024) has the molecular formula C5H8F3LiO2 and a molecular weight of 164.05 g/mol. Its IUPAC name is lithium 2-(2,2,2-trifluoroethoxy)propan-1-olate.

Molecular Properties

Compound Namelithium 2-(2,2,2-trifluoroethoxy)propan-1-olate
PubChem CID175980024
Molecular FormulaC5H8F3LiO2
Molecular Weight164.05 g/mol
Exact Mass164.06
IUPAC Namelithium 2-(2,2,2-trifluoroethoxy)propan-1-olate
SMILESCC(C[O-])OCC(F)(F)F.[Li+]
InChIInChI=1S/C5H8F3O2.Li/c1-4(2-9)10-3-5(6,7)8;/h4H,2-3H2,1H3;/q-1;+1
InChIKeyCQAYBGAXHWVXIC-UHFFFAOYSA-N
XLogP-2.68
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.05
LogP ≤ 5-2.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of lithium 2-(2,2,2-trifluoroethoxy)propan-1-olate?
The IUPAC name of lithium 2-(2,2,2-trifluoroethoxy)propan-1-olate (CID 175980024) is lithium 2-(2,2,2-trifluoroethoxy)propan-1-olate.
What is the SMILES notation for lithium 2-(2,2,2-trifluoroethoxy)propan-1-olate?
The canonical SMILES for lithium 2-(2,2,2-trifluoroethoxy)propan-1-olate is CC(C[O-])OCC(F)(F)F.[Li+].
What is the InChIKey of lithium 2-(2,2,2-trifluoroethoxy)propan-1-olate?
The InChIKey is CQAYBGAXHWVXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3O2.Li/c1-4(2-9)10-3-5(6,7)8;/h4H,2-3H2,1H3;/q-1;+1.
What are the key properties of lithium 2-(2,2,2-trifluoroethoxy)propan-1-olate?
lithium 2-(2,2,2-trifluoroethoxy)propan-1-olate has a molecular weight of 164.05 g/mol, XLogP of -2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(2,2,2-trifluoroethoxy)propan-1-olate is sourced from PubChem (CID 175980024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).