cesium;2,2,3-trifluoro-3-(trifluoromethyl)oxirane;fluoride

C3CsF7O — CID 158026245

IUPACcesium;2,2,3-trifluoro-3-(trifluoromethyl)oxirane;fluoride
SMILESFC(F)(F)C1(F)OC1(F)F.[Cs+].[F-]
InChIInChI=1S/C3F6O.Cs.FH/c4-1(2(5,6)7)3(8,9)10-1;;/h;;1H/q;+1;/p-1
InChIKeyFGQHYTSECRKTHG-UHFFFAOYSA-M
MW317.92 g/mol
LogP-4.15
Rot. Bonds

About cesium;2,2,3-trifluoro-3-(trifluoromethyl)oxirane;fluoride

cesium;2,2,3-trifluoro-3-(trifluoromethyl)oxirane;fluoride (PubChem CID 158026245) has the molecular formula C3CsF7O and a molecular weight of 317.92 g/mol. Its IUPAC name is cesium;2,2,3-trifluoro-3-(trifluoromethyl)oxirane;fluoride.

Molecular Properties

Compound Namecesium;2,2,3-trifluoro-3-(trifluoromethyl)oxirane;fluoride
PubChem CID158026245
Molecular FormulaC3CsF7O
Molecular Weight317.92 g/mol
Exact Mass317.89
IUPAC Namecesium;2,2,3-trifluoro-3-(trifluoromethyl)oxirane;fluoride
SMILESFC(F)(F)C1(F)OC1(F)F.[Cs+].[F-]
InChIInChI=1S/C3F6O.Cs.FH/c4-1(2(5,6)7)3(8,9)10-1;;/h;;1H/q;+1;/p-1
InChIKeyFGQHYTSECRKTHG-UHFFFAOYSA-M
XLogP-4.15
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.92
LogP ≤ 5-4.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cesium;2,2,3-trifluoro-3-(trifluoromethyl)oxirane;fluoride?
The IUPAC name of cesium;2,2,3-trifluoro-3-(trifluoromethyl)oxirane;fluoride (CID 158026245) is cesium;2,2,3-trifluoro-3-(trifluoromethyl)oxirane;fluoride.
What is the SMILES notation for cesium;2,2,3-trifluoro-3-(trifluoromethyl)oxirane;fluoride?
The canonical SMILES for cesium;2,2,3-trifluoro-3-(trifluoromethyl)oxirane;fluoride is FC(F)(F)C1(F)OC1(F)F.[Cs+].[F-].
What is the InChIKey of cesium;2,2,3-trifluoro-3-(trifluoromethyl)oxirane;fluoride?
The InChIKey is FGQHYTSECRKTHG-UHFFFAOYSA-M. The full InChI is InChI=1S/C3F6O.Cs.FH/c4-1(2(5,6)7)3(8,9)10-1;;/h;;1H/q;+1;/p-1.
What are the key properties of cesium;2,2,3-trifluoro-3-(trifluoromethyl)oxirane;fluoride?
cesium;2,2,3-trifluoro-3-(trifluoromethyl)oxirane;fluoride has a molecular weight of 317.92 g/mol, XLogP of -4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;2,2,3-trifluoro-3-(trifluoromethyl)oxirane;fluoride is sourced from PubChem (CID 158026245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).