sodium 2,2,2-trifluoroethanolate

C2H2F3NaO — CID 23677971

IUPACsodium 2,2,2-trifluoroethanolate
SMILES[Na+].[O-]CC(F)(F)F
InChIInChI=1S/C2H2F3O.Na/c3-2(4,5)1-6;/h1H2;/q-1;+1
InChIKeyMSGMXYUAWZYTFC-UHFFFAOYSA-N
MW122.02 g/mol
LogP-3.09
Rot. Bonds

About sodium 2,2,2-trifluoroethanolate

sodium 2,2,2-trifluoroethanolate (PubChem CID 23677971) has the molecular formula C2H2F3NaO and a molecular weight of 122.02 g/mol. Its IUPAC name is sodium 2,2,2-trifluoroethanolate.

Molecular Properties

Compound Namesodium 2,2,2-trifluoroethanolate
PubChem CID23677971
Molecular FormulaC2H2F3NaO
Molecular Weight122.02 g/mol
Exact Mass122.00
IUPAC Namesodium 2,2,2-trifluoroethanolate
SMILES[Na+].[O-]CC(F)(F)F
InChIInChI=1S/C2H2F3O.Na/c3-2(4,5)1-6;/h1H2;/q-1;+1
InChIKeyMSGMXYUAWZYTFC-UHFFFAOYSA-N
XLogP-3.09
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.02
LogP ≤ 5-3.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium 2,2,2-trifluoroethanolate?
The IUPAC name of sodium 2,2,2-trifluoroethanolate (CID 23677971) is sodium 2,2,2-trifluoroethanolate.
What is the SMILES notation for sodium 2,2,2-trifluoroethanolate?
The canonical SMILES for sodium 2,2,2-trifluoroethanolate is [Na+].[O-]CC(F)(F)F.
What is the InChIKey of sodium 2,2,2-trifluoroethanolate?
The InChIKey is MSGMXYUAWZYTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F3O.Na/c3-2(4,5)1-6;/h1H2;/q-1;+1.
What are the key properties of sodium 2,2,2-trifluoroethanolate?
sodium 2,2,2-trifluoroethanolate has a molecular weight of 122.02 g/mol, XLogP of -3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,2,2-trifluoroethanolate is sourced from PubChem (CID 23677971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).