hexakis(fluoro-oxido-oxophosphanium);hexakis(triethyloxidanium)

C36H90F6O18P6+6 — CID 21257298

IUPAChexakis(fluoro-oxido-oxophosphanium);hexakis(triethyloxidanium)
SMILESCC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F
InChIInChI=1S/6C6H15O.6FO2P/c6*1-4-7(5-2)6-3;6*1-4(2)3/h6*4-6H2,1-3H3;;;;;;/q6*+1;;;;;;
InChIKeyCCDSYAMRAQOHAZ-UHFFFAOYSA-N
MW1110.93 g/mol
LogP9.43
Rot. Bonds18

About hexakis(fluoro-oxido-oxophosphanium);hexakis(triethyloxidanium)

hexakis(fluoro-oxido-oxophosphanium);hexakis(triethyloxidanium) (PubChem CID 21257298) has the molecular formula C36H90F6O18P6+6 and a molecular weight of 1110.93 g/mol. Its IUPAC name is hexakis(fluoro-oxido-oxophosphanium);hexakis(triethyloxidanium).

Molecular Properties

Compound Namehexakis(fluoro-oxido-oxophosphanium);hexakis(triethyloxidanium)
PubChem CID21257298
Molecular FormulaC36H90F6O18P6+6
Molecular Weight1110.93 g/mol
Exact Mass1110.44
IUPAC Namehexakis(fluoro-oxido-oxophosphanium);hexakis(triethyloxidanium)
SMILESCC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F
InChIInChI=1S/6C6H15O.6FO2P/c6*1-4-7(5-2)6-3;6*1-4(2)3/h6*4-6H2,1-3H3;;;;;;/q6*+1;;;;;;
InChIKeyCCDSYAMRAQOHAZ-UHFFFAOYSA-N
XLogP9.43
TPSA256.98 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001110.93
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexakis(fluoro-oxido-oxophosphanium);hexakis(triethyloxidanium)?
The IUPAC name of hexakis(fluoro-oxido-oxophosphanium);hexakis(triethyloxidanium) (CID 21257298) is hexakis(fluoro-oxido-oxophosphanium);hexakis(triethyloxidanium).
What is the SMILES notation for hexakis(fluoro-oxido-oxophosphanium);hexakis(triethyloxidanium)?
The canonical SMILES for hexakis(fluoro-oxido-oxophosphanium);hexakis(triethyloxidanium) is CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F.
What is the InChIKey of hexakis(fluoro-oxido-oxophosphanium);hexakis(triethyloxidanium)?
The InChIKey is CCDSYAMRAQOHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/6C6H15O.6FO2P/c6*1-4-7(5-2)6-3;6*1-4(2)3/h6*4-6H2,1-3H3;;;;;;/q6*+1;;;;;;.
What are the key properties of hexakis(fluoro-oxido-oxophosphanium);hexakis(triethyloxidanium)?
hexakis(fluoro-oxido-oxophosphanium);hexakis(triethyloxidanium) has a molecular weight of 1110.93 g/mol, XLogP of 9.43, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(fluoro-oxido-oxophosphanium);hexakis(triethyloxidanium) is sourced from PubChem (CID 21257298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).