sodium 2,2,3,3,3-pentafluoropropan-1-olate

C3H2F5NaO — CID 23687168

IUPACsodium 2,2,3,3,3-pentafluoropropan-1-olate
SMILES[Na+].[O-]CC(F)(F)C(F)(F)F
InChIInChI=1S/C3H2F5O.Na/c4-2(5,1-9)3(6,7)8;/h1H2;/q-1;+1
InChIKeyZUFNSGYOTJSDQJ-UHFFFAOYSA-N
MW172.03 g/mol
LogP-2.45
Rot. Bonds1

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

sodium 2,2,3,3,3-pentafluoropropan-1-olate (PubChem CID 23687168) has the molecular formula C3H2F5NaO and a molecular weight of 172.03 g/mol. Its IUPAC name is sodium 2,2,3,3,3-pentafluoropropan-1-olate.

Molecular Properties

Compound Namesodium 2,2,3,3,3-pentafluoropropan-1-olate
PubChem CID23687168
Molecular FormulaC3H2F5NaO
Molecular Weight172.03 g/mol
Exact Mass171.99
IUPAC Namesodium 2,2,3,3,3-pentafluoropropan-1-olate
SMILES[Na+].[O-]CC(F)(F)C(F)(F)F
InChIInChI=1S/C3H2F5O.Na/c4-2(5,1-9)3(6,7)8;/h1H2;/q-1;+1
InChIKeyZUFNSGYOTJSDQJ-UHFFFAOYSA-N
XLogP-2.45
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.03
LogP ≤ 5-2.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethanol, 2,2,2-trifluoro-, sodium salt (1:1)
CID 23677971
Sodium;2,2,3,3,4,4,4-heptafluorobutan-1-olate
CID 23675226
Sodium 1,1,1,3,3,3-hexafluoropropan-2-olate
CID 23676101
2,2,3,3-Tetrafluoropropoxysodium
CID 23688787
Sodium 3,3,3-trifluoropropoxide
CID 87145443
2,2,3,3-Tetrafluoropropyl hypochlorite
CID 12650399
1,2,2-Trifluoroethyl hypofluorite
CID 19380220
1,2,2,3,3-Pentafluoropropyl hypofluorite
CID 20600109
1,2,2,2-Tetrafluoroethyl hypofluorite
CID 22084405
2,2,2-Trifluoroethyl hypofluorite
CID 22094287
3,3,3-Trifluoropropyl hypofluorite
CID 22094293
Potassium;2,2,3,3,3-pentafluoropropan-1-olate
CID 23692575

Frequently Asked Questions

What is the IUPAC name of sodium 2,2,3,3,3-pentafluoropropan-1-olate?
The IUPAC name of sodium 2,2,3,3,3-pentafluoropropan-1-olate (CID 23687168) is sodium 2,2,3,3,3-pentafluoropropan-1-olate.
What is the SMILES notation for sodium 2,2,3,3,3-pentafluoropropan-1-olate?
The canonical SMILES for sodium 2,2,3,3,3-pentafluoropropan-1-olate is [Na+].[O-]CC(F)(F)C(F)(F)F.
What is the InChIKey of sodium 2,2,3,3,3-pentafluoropropan-1-olate?
The InChIKey is ZUFNSGYOTJSDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F5O.Na/c4-2(5,1-9)3(6,7)8;/h1H2;/q-1;+1.
What are the key properties of sodium 2,2,3,3,3-pentafluoropropan-1-olate?
sodium 2,2,3,3,3-pentafluoropropan-1-olate has a molecular weight of 172.03 g/mol, XLogP of -2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,2,3,3,3-pentafluoropropan-1-olate is sourced from PubChem (CID 23687168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).