oxo-bis[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethoxy]phosphanium

C18H24F6O5P+ — CID 118623068

IUPACoxo-bis[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethoxy]phosphanium
SMILESO=C(CO[P+](=O)OCC(=O)C1CCC(C(F)(F)F)CC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C18H24F6O5P/c19-17(20,21)13-5-1-11(2-6-13)15(25)9-28-30(27)29-10-16(26)12-3-7-14(8-4-12)18(22,23)24/h11-14H,1-10H2/q+1
InChIKeyBYPYUOVSPRNKNK-UHFFFAOYSA-N
MW465.35 g/mol
LogP5.55
Rot. Bonds8

About oxo-bis[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethoxy]phosphanium

oxo-bis[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethoxy]phosphanium (PubChem CID 118623068) has the molecular formula C18H24F6O5P+ and a molecular weight of 465.35 g/mol. Its IUPAC name is oxo-bis[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethoxy]phosphanium.

Molecular Properties

Compound Nameoxo-bis[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethoxy]phosphanium
PubChem CID118623068
Molecular FormulaC18H24F6O5P+
Molecular Weight465.35 g/mol
Exact Mass465.13
IUPAC Nameoxo-bis[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethoxy]phosphanium
SMILESO=C(CO[P+](=O)OCC(=O)C1CCC(C(F)(F)F)CC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C18H24F6O5P/c19-17(20,21)13-5-1-11(2-6-13)15(25)9-28-30(27)29-10-16(26)12-3-7-14(8-4-12)18(22,23)24/h11-14H,1-10H2/q+1
InChIKeyBYPYUOVSPRNKNK-UHFFFAOYSA-N
XLogP5.55
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.35
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxo-bis[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethoxy]phosphanium?
The IUPAC name of oxo-bis[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethoxy]phosphanium (CID 118623068) is oxo-bis[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethoxy]phosphanium.
What is the SMILES notation for oxo-bis[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethoxy]phosphanium?
The canonical SMILES for oxo-bis[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethoxy]phosphanium is O=C(CO[P+](=O)OCC(=O)C1CCC(C(F)(F)F)CC1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of oxo-bis[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethoxy]phosphanium?
The InChIKey is BYPYUOVSPRNKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F6O5P/c19-17(20,21)13-5-1-11(2-6-13)15(25)9-28-30(27)29-10-16(26)12-3-7-14(8-4-12)18(22,23)24/h11-14H,1-10H2/q+1.
What are the key properties of oxo-bis[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethoxy]phosphanium?
oxo-bis[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethoxy]phosphanium has a molecular weight of 465.35 g/mol, XLogP of 5.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethoxy]phosphanium is sourced from PubChem (CID 118623068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).