cesium 1,1,1,3,3,3-hexafluoropropan-2-olate

C3HCsF6O — CID 22889461

IUPACcesium 1,1,1,3,3,3-hexafluoropropan-2-olate
SMILES[Cs+].[O-]C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF6O.Cs/c4-2(5,6)1(10)3(7,8)9;/h1H;/q-1;+1
InChIKeyIUFPGCUSSUDCPD-UHFFFAOYSA-N
MW299.93 g/mol
LogP-2.16
Rot. Bonds

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

cesium 1,1,1,3,3,3-hexafluoropropan-2-olate (PubChem CID 22889461) has the molecular formula C3HCsF6O and a molecular weight of 299.93 g/mol. Its IUPAC name is cesium 1,1,1,3,3,3-hexafluoropropan-2-olate.

Molecular Properties

Compound Namecesium 1,1,1,3,3,3-hexafluoropropan-2-olate
PubChem CID22889461
Molecular FormulaC3HCsF6O
Molecular Weight299.93 g/mol
Exact Mass299.90
IUPAC Namecesium 1,1,1,3,3,3-hexafluoropropan-2-olate
SMILES[Cs+].[O-]C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF6O.Cs/c4-2(5,6)1(10)3(7,8)9;/h1H;/q-1;+1
InChIKeyIUFPGCUSSUDCPD-UHFFFAOYSA-N
XLogP-2.16
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.93
LogP ≤ 5-2.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cesium 1,1,1,3,3,3-hexafluoropropan-2-olate?
The IUPAC name of cesium 1,1,1,3,3,3-hexafluoropropan-2-olate (CID 22889461) is cesium 1,1,1,3,3,3-hexafluoropropan-2-olate.
What is the SMILES notation for cesium 1,1,1,3,3,3-hexafluoropropan-2-olate?
The canonical SMILES for cesium 1,1,1,3,3,3-hexafluoropropan-2-olate is [Cs+].[O-]C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of cesium 1,1,1,3,3,3-hexafluoropropan-2-olate?
The InChIKey is IUFPGCUSSUDCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF6O.Cs/c4-2(5,6)1(10)3(7,8)9;/h1H;/q-1;+1.
What are the key properties of cesium 1,1,1,3,3,3-hexafluoropropan-2-olate?
cesium 1,1,1,3,3,3-hexafluoropropan-2-olate has a molecular weight of 299.93 g/mol, XLogP of -2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 1,1,1,3,3,3-hexafluoropropan-2-olate is sourced from PubChem (CID 22889461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).