sodium 1,2,2,3,3,3-hexafluoropropan-1-olate

C3HF6NaO — CID 23722253

IUPACsodium 1,2,2,3,3,3-hexafluoropropan-1-olate
SMILES[Na+].[O-]C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF6O.Na/c4-1(10)2(5,6)3(7,8)9;/h1H;/q-1;+1
InChIKeyDUGUBFQYJGOZMA-UHFFFAOYSA-N
MW190.02 g/mol
LogP-2.16
Rot. Bonds1

About sodium 1,2,2,3,3,3-hexafluoropropan-1-olate

sodium 1,2,2,3,3,3-hexafluoropropan-1-olate (PubChem CID 23722253) has the molecular formula C3HF6NaO and a molecular weight of 190.02 g/mol. Its IUPAC name is sodium 1,2,2,3,3,3-hexafluoropropan-1-olate.

Molecular Properties

Compound Namesodium 1,2,2,3,3,3-hexafluoropropan-1-olate
PubChem CID23722253
Molecular FormulaC3HF6NaO
Molecular Weight190.02 g/mol
Exact Mass189.98
IUPAC Namesodium 1,2,2,3,3,3-hexafluoropropan-1-olate
SMILES[Na+].[O-]C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF6O.Na/c4-1(10)2(5,6)3(7,8)9;/h1H;/q-1;+1
InChIKeyDUGUBFQYJGOZMA-UHFFFAOYSA-N
XLogP-2.16
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.02
LogP ≤ 5-2.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 1,2,2,3,3,3-hexafluoropropan-1-olate?
The IUPAC name of sodium 1,2,2,3,3,3-hexafluoropropan-1-olate (CID 23722253) is sodium 1,2,2,3,3,3-hexafluoropropan-1-olate.
What is the SMILES notation for sodium 1,2,2,3,3,3-hexafluoropropan-1-olate?
The canonical SMILES for sodium 1,2,2,3,3,3-hexafluoropropan-1-olate is [Na+].[O-]C(F)C(F)(F)C(F)(F)F.
What is the InChIKey of sodium 1,2,2,3,3,3-hexafluoropropan-1-olate?
The InChIKey is DUGUBFQYJGOZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF6O.Na/c4-1(10)2(5,6)3(7,8)9;/h1H;/q-1;+1.
What are the key properties of sodium 1,2,2,3,3,3-hexafluoropropan-1-olate?
sodium 1,2,2,3,3,3-hexafluoropropan-1-olate has a molecular weight of 190.02 g/mol, XLogP of -2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,2,2,3,3,3-hexafluoropropan-1-olate is sourced from PubChem (CID 23722253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).