(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxidanium

C4H5F6O+ — CID 23233493

IUPAC(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxidanium
SMILESCC([OH2+])(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H4F6O/c1-2(11,3(5,6)7)4(8,9)10/h11H,1H3/p+1
InChIKeyFQDXJYBXPOMIBX-UHFFFAOYSA-O
MW183.07 g/mol
LogP1.59
Rot. Bonds

About (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxidanium

(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxidanium (PubChem CID 23233493) has the molecular formula C4H5F6O+ and a molecular weight of 183.07 g/mol. Its IUPAC name is (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxidanium.

Molecular Properties

Compound Name(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxidanium
PubChem CID23233493
Molecular FormulaC4H5F6O+
Molecular Weight183.07 g/mol
Exact Mass183.02
IUPAC Name(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxidanium
SMILESCC([OH2+])(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H4F6O/c1-2(11,3(5,6)7)4(8,9)10/h11H,1H3/p+1
InChIKeyFQDXJYBXPOMIBX-UHFFFAOYSA-O
XLogP1.59
TPSA22.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.07
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxidanium?
The IUPAC name of (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxidanium (CID 23233493) is (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxidanium.
What is the SMILES notation for (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxidanium?
The canonical SMILES for (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxidanium is CC([OH2+])(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxidanium?
The InChIKey is FQDXJYBXPOMIBX-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H4F6O/c1-2(11,3(5,6)7)4(8,9)10/h11H,1H3/p+1.
What are the key properties of (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxidanium?
(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxidanium has a molecular weight of 183.07 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxidanium is sourced from PubChem (CID 23233493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).