sodium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate

C5H3F8NaO — CID 23688788

IUPACsodium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate
SMILES[Na+].[O-]CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H3F8O.Na/c6-2(7)4(10,11)5(12,13)3(8,9)1-14;/h2H,1H2;/q-1;+1
InChIKeyMBGAXRQGQVNHDK-UHFFFAOYSA-N
MW254.05 g/mol
LogP-1.48
Rot. Bonds4

About sodium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate

sodium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate (PubChem CID 23688788) has the molecular formula C5H3F8NaO and a molecular weight of 254.05 g/mol. Its IUPAC name is sodium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate.

Molecular Properties

Compound Namesodium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate
PubChem CID23688788
Molecular FormulaC5H3F8NaO
Molecular Weight254.05 g/mol
Exact Mass254.00
IUPAC Namesodium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate
SMILES[Na+].[O-]CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H3F8O.Na/c6-2(7)4(10,11)5(12,13)3(8,9)1-14;/h2H,1H2;/q-1;+1
InChIKeyMBGAXRQGQVNHDK-UHFFFAOYSA-N
XLogP-1.48
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.05
LogP ≤ 5-1.48
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 2,2,3,3,4,4,5,5-octafluoropentan-1-olate?
The IUPAC name of sodium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate (CID 23688788) is sodium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate.
What is the SMILES notation for sodium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate?
The canonical SMILES for sodium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate is [Na+].[O-]CC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of sodium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate?
The InChIKey is MBGAXRQGQVNHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F8O.Na/c6-2(7)4(10,11)5(12,13)3(8,9)1-14;/h2H,1H2;/q-1;+1.
What are the key properties of sodium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate?
sodium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate has a molecular weight of 254.05 g/mol, XLogP of -1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate is sourced from PubChem (CID 23688788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).