2-(2,2,2-trifluoroethoxy)ethanolate

C4H6F3O2- — CID 59863337

IUPAC2-(2,2,2-trifluoroethoxy)ethanolate
SMILES[O-]CCOCC(F)(F)F
InChIInChI=1S/C4H6F3O2/c5-4(6,7)3-9-2-1-8/h1-3H2/q-1
InChIKeyWECVKTPSFBLBBS-UHFFFAOYSA-N
MW143.08 g/mol
LogP-0.07
Rot. Bonds3

About 2-(2,2,2-trifluoroethoxy)ethanolate

2-(2,2,2-trifluoroethoxy)ethanolate (PubChem CID 59863337) has the molecular formula C4H6F3O2- and a molecular weight of 143.08 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)ethanolate.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)ethanolate
PubChem CID59863337
Molecular FormulaC4H6F3O2-
Molecular Weight143.08 g/mol
Exact Mass143.03
IUPAC Name2-(2,2,2-trifluoroethoxy)ethanolate
SMILES[O-]CCOCC(F)(F)F
InChIInChI=1S/C4H6F3O2/c5-4(6,7)3-9-2-1-8/h1-3H2/q-1
InChIKeyWECVKTPSFBLBBS-UHFFFAOYSA-N
XLogP-0.07
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.08
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2,2,2-trifluoroethoxy)ethanolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethane
CID 87282326
2-(2,2,2-trifluoroethoxy)ethyl hypofluorite
CID 89475011
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
2-(2,2,2-trifluoroethoxy)ethanamine
CID 2060297
2-(2,2,2-trifluoroethoxy)ethanethiol
CID 61490314
lithium 1,5-bis(2,2,2-trifluoroethoxy)pentan-3-olate
CID 175979999
2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 21097608
2,2-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethoxy]propane
CID 175613997
ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039
2,2,2-trifluoroethoxymethyl hypoiodite
CID 156529351
3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]butane
CID 171600515
ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane
CID 153342663

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)ethanolate?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)ethanolate (CID 59863337) is 2-(2,2,2-trifluoroethoxy)ethanolate.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)ethanolate?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)ethanolate is [O-]CCOCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)ethanolate?
The InChIKey is WECVKTPSFBLBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3O2/c5-4(6,7)3-9-2-1-8/h1-3H2/q-1.
What are the key properties of 2-(2,2,2-trifluoroethoxy)ethanolate?
2-(2,2,2-trifluoroethoxy)ethanolate has a molecular weight of 143.08 g/mol, XLogP of -0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)ethanolate is sourced from PubChem (CID 59863337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).