lithium 1,1,1-trifluoropropan-2-olate

C3H4F3LiO — CID 23722777

IUPAClithium 1,1,1-trifluoropropan-2-olate
SMILESCC([O-])C(F)(F)F.[Li+]
InChIInChI=1S/C3H4F3O.Li/c1-2(7)3(4,5)6;/h2H,1H3;/q-1;+1
InChIKeyUXVSRTMIEPJCHZ-UHFFFAOYSA-N
MW120.00 g/mol
LogP-2.70
Rot. Bonds

About lithium 1,1,1-trifluoropropan-2-olate

lithium 1,1,1-trifluoropropan-2-olate (PubChem CID 23722777) has the molecular formula C3H4F3LiO and a molecular weight of 120.00 g/mol. Its IUPAC name is lithium 1,1,1-trifluoropropan-2-olate.

Molecular Properties

Compound Namelithium 1,1,1-trifluoropropan-2-olate
PubChem CID23722777
Molecular FormulaC3H4F3LiO
Molecular Weight120.00 g/mol
Exact Mass120.04
IUPAC Namelithium 1,1,1-trifluoropropan-2-olate
SMILESCC([O-])C(F)(F)F.[Li+]
InChIInChI=1S/C3H4F3O.Li/c1-2(7)3(4,5)6;/h2H,1H3;/q-1;+1
InChIKeyUXVSRTMIEPJCHZ-UHFFFAOYSA-N
XLogP-2.70
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.00
LogP ≤ 5-2.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium 1,1,1-trifluoropropan-2-olate?
The IUPAC name of lithium 1,1,1-trifluoropropan-2-olate (CID 23722777) is lithium 1,1,1-trifluoropropan-2-olate.
What is the SMILES notation for lithium 1,1,1-trifluoropropan-2-olate?
The canonical SMILES for lithium 1,1,1-trifluoropropan-2-olate is CC([O-])C(F)(F)F.[Li+].
What is the InChIKey of lithium 1,1,1-trifluoropropan-2-olate?
The InChIKey is UXVSRTMIEPJCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3O.Li/c1-2(7)3(4,5)6;/h2H,1H3;/q-1;+1.
What are the key properties of lithium 1,1,1-trifluoropropan-2-olate?
lithium 1,1,1-trifluoropropan-2-olate has a molecular weight of 120.00 g/mol, XLogP of -2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,1,1-trifluoropropan-2-olate is sourced from PubChem (CID 23722777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).