lithium;methanolate;1,1,1-trifluoropropane

C4H8F3LiO — CID 158848584

IUPAClithium;methanolate;1,1,1-trifluoropropane
SMILESCCC(F)(F)F.C[O-].[Li+]
InChIInChI=1S/C3H5F3.CH3O.Li/c1-2-3(4,5)6;1-2;/h2H2,1H3;1H3;/q;-1;+1
InChIKeyIZDPBXFYLBTCAF-UHFFFAOYSA-N
MW136.04 g/mol
LogP-2.06
Rot. Bonds

About lithium;methanolate;1,1,1-trifluoropropane

lithium;methanolate;1,1,1-trifluoropropane (PubChem CID 158848584) has the molecular formula C4H8F3LiO and a molecular weight of 136.04 g/mol. Its IUPAC name is lithium;methanolate;1,1,1-trifluoropropane.

Molecular Properties

Compound Namelithium;methanolate;1,1,1-trifluoropropane
PubChem CID158848584
Molecular FormulaC4H8F3LiO
Molecular Weight136.04 g/mol
Exact Mass136.07
IUPAC Namelithium;methanolate;1,1,1-trifluoropropane
SMILESCCC(F)(F)F.C[O-].[Li+]
InChIInChI=1S/C3H5F3.CH3O.Li/c1-2-3(4,5)6;1-2;/h2H2,1H3;1H3;/q;-1;+1
InChIKeyIZDPBXFYLBTCAF-UHFFFAOYSA-N
XLogP-2.06
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.04
LogP ≤ 5-2.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium;methanolate;1,1,1-trifluoropropane?
The IUPAC name of lithium;methanolate;1,1,1-trifluoropropane (CID 158848584) is lithium;methanolate;1,1,1-trifluoropropane.
What is the SMILES notation for lithium;methanolate;1,1,1-trifluoropropane?
The canonical SMILES for lithium;methanolate;1,1,1-trifluoropropane is CCC(F)(F)F.C[O-].[Li+].
What is the InChIKey of lithium;methanolate;1,1,1-trifluoropropane?
The InChIKey is IZDPBXFYLBTCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3.CH3O.Li/c1-2-3(4,5)6;1-2;/h2H2,1H3;1H3;/q;-1;+1.
What are the key properties of lithium;methanolate;1,1,1-trifluoropropane?
lithium;methanolate;1,1,1-trifluoropropane has a molecular weight of 136.04 g/mol, XLogP of -2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;methanolate;1,1,1-trifluoropropane is sourced from PubChem (CID 158848584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).