sodium 2,2-difluoroethanolate

C2H3F2NaO — CID 23708574

IUPACsodium 2,2-difluoroethanolate
SMILES[Na+].[O-]CC(F)F
InChIInChI=1S/C2H3F2O.Na/c3-2(4)1-5;/h2H,1H2;/q-1;+1
InChIKeyJAEHBRUZOZWDCG-UHFFFAOYSA-N
MW104.03 g/mol
LogP-3.38
Rot. Bonds1

About sodium 2,2-difluoroethanolate

sodium 2,2-difluoroethanolate (PubChem CID 23708574) has the molecular formula C2H3F2NaO and a molecular weight of 104.03 g/mol. Its IUPAC name is sodium 2,2-difluoroethanolate.

Molecular Properties

Compound Namesodium 2,2-difluoroethanolate
PubChem CID23708574
Molecular FormulaC2H3F2NaO
Molecular Weight104.03 g/mol
Exact Mass104.00
IUPAC Namesodium 2,2-difluoroethanolate
SMILES[Na+].[O-]CC(F)F
InChIInChI=1S/C2H3F2O.Na/c3-2(4)1-5;/h2H,1H2;/q-1;+1
InChIKeyJAEHBRUZOZWDCG-UHFFFAOYSA-N
XLogP-3.38
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.03
LogP ≤ 5-3.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium 2,2-difluoroethanolate?
The IUPAC name of sodium 2,2-difluoroethanolate (CID 23708574) is sodium 2,2-difluoroethanolate.
What is the SMILES notation for sodium 2,2-difluoroethanolate?
The canonical SMILES for sodium 2,2-difluoroethanolate is [Na+].[O-]CC(F)F.
What is the InChIKey of sodium 2,2-difluoroethanolate?
The InChIKey is JAEHBRUZOZWDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F2O.Na/c3-2(4)1-5;/h2H,1H2;/q-1;+1.
What are the key properties of sodium 2,2-difluoroethanolate?
sodium 2,2-difluoroethanolate has a molecular weight of 104.03 g/mol, XLogP of -3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,2-difluoroethanolate is sourced from PubChem (CID 23708574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).