2,2,2-Trifluoroethanol sodium salt

C2H3F3NaO — CID 86742142

IUPAC—
SMILESOCC(F)(F)F.[Na]
InChIInChI=1S/C2H3F3O.Na/c3-2(4,5)1-6;/h6H,1H2;
InChIKeyUQMQEGXOVRHYOV-UHFFFAOYSA-N
MW123.03 g/mol
LogP0.16
Rot. Bonds

About 2,2,2-Trifluoroethanol sodium salt

2,2,2-Trifluoroethanol sodium salt (PubChem CID 86742142) has the molecular formula C2H3F3NaO and a molecular weight of 123.03 g/mol.

Molecular Properties

Compound Name2,2,2-Trifluoroethanol sodium salt
PubChem CID86742142
Molecular FormulaC2H3F3NaO
Molecular Weight123.03 g/mol
Exact Mass123.00
IUPAC Name—
SMILESOCC(F)(F)F.[Na]
InChIInChI=1S/C2H3F3O.Na/c3-2(4,5)1-6;/h6H,1H2;
InChIKeyUQMQEGXOVRHYOV-UHFFFAOYSA-N
XLogP0.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.03
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-Trifluoroethanol sodium salt?
The IUPAC name of 2,2,2-Trifluoroethanol sodium salt (CID 86742142) is not available.
What is the SMILES notation for 2,2,2-Trifluoroethanol sodium salt?
The canonical SMILES for 2,2,2-Trifluoroethanol sodium salt is OCC(F)(F)F.[Na].
What is the InChIKey of 2,2,2-Trifluoroethanol sodium salt?
The InChIKey is UQMQEGXOVRHYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3O.Na/c3-2(4,5)1-6;/h6H,1H2;.
What are the key properties of 2,2,2-Trifluoroethanol sodium salt?
2,2,2-Trifluoroethanol sodium salt has a molecular weight of 123.03 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-Trifluoroethanol sodium salt is sourced from PubChem (CID 86742142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).