potassium 2,2,3,3,3-pentafluoropropan-1-olate

C3H2F5KO — CID 23692575

IUPACpotassium 2,2,3,3,3-pentafluoropropan-1-olate
SMILES[K+].[O-]CC(F)(F)C(F)(F)F
InChIInChI=1S/C3H2F5O.K/c4-2(5,1-9)3(6,7)8;/h1H2;/q-1;+1
InChIKeyAQDMJNUIDRSMNY-UHFFFAOYSA-N
MW188.14 g/mol
LogP-2.45
Rot. Bonds1

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

potassium 2,2,3,3,3-pentafluoropropan-1-olate (PubChem CID 23692575) has the molecular formula C3H2F5KO and a molecular weight of 188.14 g/mol. Its IUPAC name is potassium 2,2,3,3,3-pentafluoropropan-1-olate.

Molecular Properties

Compound Namepotassium 2,2,3,3,3-pentafluoropropan-1-olate
PubChem CID23692575
Molecular FormulaC3H2F5KO
Molecular Weight188.14 g/mol
Exact Mass187.97
IUPAC Namepotassium 2,2,3,3,3-pentafluoropropan-1-olate
SMILES[K+].[O-]CC(F)(F)C(F)(F)F
InChIInChI=1S/C3H2F5O.K/c4-2(5,1-9)3(6,7)8;/h1H2;/q-1;+1
InChIKeyAQDMJNUIDRSMNY-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 ≤ 500188.14
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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Frequently Asked Questions

What is the IUPAC name of potassium 2,2,3,3,3-pentafluoropropan-1-olate?
The IUPAC name of potassium 2,2,3,3,3-pentafluoropropan-1-olate (CID 23692575) is potassium 2,2,3,3,3-pentafluoropropan-1-olate.
What is the SMILES notation for potassium 2,2,3,3,3-pentafluoropropan-1-olate?
The canonical SMILES for potassium 2,2,3,3,3-pentafluoropropan-1-olate is [K+].[O-]CC(F)(F)C(F)(F)F.
What is the InChIKey of potassium 2,2,3,3,3-pentafluoropropan-1-olate?
The InChIKey is AQDMJNUIDRSMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F5O.K/c4-2(5,1-9)3(6,7)8;/h1H2;/q-1;+1.
What are the key properties of potassium 2,2,3,3,3-pentafluoropropan-1-olate?
potassium 2,2,3,3,3-pentafluoropropan-1-olate has a molecular weight of 188.14 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 potassium 2,2,3,3,3-pentafluoropropan-1-olate is sourced from PubChem (CID 23692575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).