potassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate

C4F9KO — CID 23686533

IUPACpotassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate
SMILES[K+].[O-]C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4F9O.K/c5-2(6,7)1(14,3(8,9)10)4(11,12)13;/q-1;+1
InChIKeyKZISLEFTNMECDL-UHFFFAOYSA-N
MW274.12 g/mol
LogP-1.22
Rot. Bonds

About potassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate

potassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate (PubChem CID 23686533) has the molecular formula C4F9KO and a molecular weight of 274.12 g/mol. Its IUPAC name is potassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate.

Molecular Properties

Compound Namepotassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate
PubChem CID23686533
Molecular FormulaC4F9KO
Molecular Weight274.12 g/mol
Exact Mass273.94
IUPAC Namepotassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate
SMILES[K+].[O-]C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4F9O.K/c5-2(6,7)1(14,3(8,9)10)4(11,12)13;/q-1;+1
InChIKeyKZISLEFTNMECDL-UHFFFAOYSA-N
XLogP-1.22
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 5-1.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of potassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate?
The IUPAC name of potassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate (CID 23686533) is potassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate.
What is the SMILES notation for potassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate?
The canonical SMILES for potassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate is [K+].[O-]C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of potassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate?
The InChIKey is KZISLEFTNMECDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F9O.K/c5-2(6,7)1(14,3(8,9)10)4(11,12)13;/q-1;+1.
What are the key properties of potassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate?
potassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate has a molecular weight of 274.12 g/mol, XLogP of -1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate is sourced from PubChem (CID 23686533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).