lithium;oxolane;2,2,2-trifluoroacetate

C6H8F3LiO3 — CID 67674835

IUPAClithium;oxolane;2,2,2-trifluoroacetate
SMILESC1CCOC1.O=C([O-])C(F)(F)F.[Li+]
InChIInChI=1S/C4H8O.C2HF3O2.Li/c1-2-4-5-3-1;3-2(4,5)1(6)7;/h1-4H2;(H,6,7);/q;;+1/p-1
InChIKeyIGWKSKZKNUZNRB-UHFFFAOYSA-M
MW192.06 g/mol
LogP-2.90
Rot. Bonds

About lithium;oxolane;2,2,2-trifluoroacetate

lithium;oxolane;2,2,2-trifluoroacetate (PubChem CID 67674835) has the molecular formula C6H8F3LiO3 and a molecular weight of 192.06 g/mol. Its IUPAC name is lithium;oxolane;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namelithium;oxolane;2,2,2-trifluoroacetate
PubChem CID67674835
Molecular FormulaC6H8F3LiO3
Molecular Weight192.06 g/mol
Exact Mass192.06
IUPAC Namelithium;oxolane;2,2,2-trifluoroacetate
SMILESC1CCOC1.O=C([O-])C(F)(F)F.[Li+]
InChIInChI=1S/C4H8O.C2HF3O2.Li/c1-2-4-5-3-1;3-2(4,5)1(6)7;/h1-4H2;(H,6,7);/q;;+1/p-1
InChIKeyIGWKSKZKNUZNRB-UHFFFAOYSA-M
XLogP-2.90
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 5-2.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of lithium;oxolane;2,2,2-trifluoroacetate?
The IUPAC name of lithium;oxolane;2,2,2-trifluoroacetate (CID 67674835) is lithium;oxolane;2,2,2-trifluoroacetate.
What is the SMILES notation for lithium;oxolane;2,2,2-trifluoroacetate?
The canonical SMILES for lithium;oxolane;2,2,2-trifluoroacetate is C1CCOC1.O=C([O-])C(F)(F)F.[Li+].
What is the InChIKey of lithium;oxolane;2,2,2-trifluoroacetate?
The InChIKey is IGWKSKZKNUZNRB-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O.C2HF3O2.Li/c1-2-4-5-3-1;3-2(4,5)1(6)7;/h1-4H2;(H,6,7);/q;;+1/p-1.
What are the key properties of lithium;oxolane;2,2,2-trifluoroacetate?
lithium;oxolane;2,2,2-trifluoroacetate has a molecular weight of 192.06 g/mol, XLogP of -2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;oxolane;2,2,2-trifluoroacetate is sourced from PubChem (CID 67674835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).