lithium 3-(2,2,2-trifluoroethoxy)butan-1-olate

C6H10F3LiO2 — CID 175980012

IUPAClithium 3-(2,2,2-trifluoroethoxy)butan-1-olate
SMILESCC(CC[O-])OCC(F)(F)F.[Li+]
InChIInChI=1S/C6H10F3O2.Li/c1-5(2-3-10)11-4-6(7,8)9;/h5H,2-4H2,1H3;/q-1;+1
InChIKeyYHHRZVCUGUQKNN-UHFFFAOYSA-N
MW178.08 g/mol
LogP-2.29
Rot. Bonds4

About lithium 3-(2,2,2-trifluoroethoxy)butan-1-olate

lithium 3-(2,2,2-trifluoroethoxy)butan-1-olate (PubChem CID 175980012) has the molecular formula C6H10F3LiO2 and a molecular weight of 178.08 g/mol. Its IUPAC name is lithium 3-(2,2,2-trifluoroethoxy)butan-1-olate.

Molecular Properties

Compound Namelithium 3-(2,2,2-trifluoroethoxy)butan-1-olate
PubChem CID175980012
Molecular FormulaC6H10F3LiO2
Molecular Weight178.08 g/mol
Exact Mass178.08
IUPAC Namelithium 3-(2,2,2-trifluoroethoxy)butan-1-olate
SMILESCC(CC[O-])OCC(F)(F)F.[Li+]
InChIInChI=1S/C6H10F3O2.Li/c1-5(2-3-10)11-4-6(7,8)9;/h5H,2-4H2,1H3;/q-1;+1
InChIKeyYHHRZVCUGUQKNN-UHFFFAOYSA-N
XLogP-2.29
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.08
LogP ≤ 5-2.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

lithium 2-(2,2,2-trifluoroethoxy)propan-1-olate
CID 175980024
3-(2,2,2-trifluoroethoxy)butanenitrile
CID 114995231
2-methyl-3-(2,2,2-trifluoroethoxy)butane
CID 59061021
2-[1-(disulfanyl)ethoxy]-1,1,1-trifluoroethane
CID 134572213
N-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 62567250
2,2,2-trifluoroethoxymethanediolate
CID 149435105
1,1,1-trifluoro-2-(1-methoxyethoxy)ethane
CID 87508044
3-[2,2-dimethyl-1-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylbutane
CID 121371563
lithium 2-(1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yloxy)propan-1-olate
CID 175979984
2-methyl-1,1-bis(2,2,2-trifluoroethoxy)butane
CID 19828970
1,1,1-trifluoro-4-(2-methylpropoxy)pentane
CID 170367964
2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile
CID 64728179

Frequently Asked Questions

What is the IUPAC name of lithium 3-(2,2,2-trifluoroethoxy)butan-1-olate?
The IUPAC name of lithium 3-(2,2,2-trifluoroethoxy)butan-1-olate (CID 175980012) is lithium 3-(2,2,2-trifluoroethoxy)butan-1-olate.
What is the SMILES notation for lithium 3-(2,2,2-trifluoroethoxy)butan-1-olate?
The canonical SMILES for lithium 3-(2,2,2-trifluoroethoxy)butan-1-olate is CC(CC[O-])OCC(F)(F)F.[Li+].
What is the InChIKey of lithium 3-(2,2,2-trifluoroethoxy)butan-1-olate?
The InChIKey is YHHRZVCUGUQKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3O2.Li/c1-5(2-3-10)11-4-6(7,8)9;/h5H,2-4H2,1H3;/q-1;+1.
What are the key properties of lithium 3-(2,2,2-trifluoroethoxy)butan-1-olate?
lithium 3-(2,2,2-trifluoroethoxy)butan-1-olate has a molecular weight of 178.08 g/mol, XLogP of -2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-(2,2,2-trifluoroethoxy)butan-1-olate is sourced from PubChem (CID 175980012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).