phosphoric acid;bis(2,2,2-trifluoro-1-morpholin-4-ylethanone)

C12H19F6N2O8P — CID 118496995

IUPACphosphoric acid;bis(2,2,2-trifluoro-1-morpholin-4-ylethanone)
SMILESO=C(N1CCOCC1)C(F)(F)F.O=C(N1CCOCC1)C(F)(F)F.O=P(O)(O)O
InChIInChI=1S/2C6H8F3NO2.H3O4P/c2*7-6(8,9)5(11)10-1-3-12-4-2-10;1-5(2,3)4/h2*1-4H2;(H3,1,2,3,4)
InChIKeyIUBPLXCZCPIFHP-UHFFFAOYSA-N
MW464.25 g/mol
LogP-0.11
Rot. Bonds

About phosphoric acid;bis(2,2,2-trifluoro-1-morpholin-4-ylethanone)

phosphoric acid;bis(2,2,2-trifluoro-1-morpholin-4-ylethanone) (PubChem CID 118496995) has the molecular formula C12H19F6N2O8P and a molecular weight of 464.25 g/mol. Its IUPAC name is phosphoric acid;bis(2,2,2-trifluoro-1-morpholin-4-ylethanone).

Molecular Properties

Compound Namephosphoric acid;bis(2,2,2-trifluoro-1-morpholin-4-ylethanone)
PubChem CID118496995
Molecular FormulaC12H19F6N2O8P
Molecular Weight464.25 g/mol
Exact Mass464.08
IUPAC Namephosphoric acid;bis(2,2,2-trifluoro-1-morpholin-4-ylethanone)
SMILESO=C(N1CCOCC1)C(F)(F)F.O=C(N1CCOCC1)C(F)(F)F.O=P(O)(O)O
InChIInChI=1S/2C6H8F3NO2.H3O4P/c2*7-6(8,9)5(11)10-1-3-12-4-2-10;1-5(2,3)4/h2*1-4H2;(H3,1,2,3,4)
InChIKeyIUBPLXCZCPIFHP-UHFFFAOYSA-N
XLogP-0.11
TPSA136.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze phosphoric acid;bis(2,2,2-trifluoro-1-morpholin-4-ylethanone) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;bis(2,2,2-trifluoro-1-morpholin-4-ylethanone)?
The IUPAC name of phosphoric acid;bis(2,2,2-trifluoro-1-morpholin-4-ylethanone) (CID 118496995) is phosphoric acid;bis(2,2,2-trifluoro-1-morpholin-4-ylethanone).
What is the SMILES notation for phosphoric acid;bis(2,2,2-trifluoro-1-morpholin-4-ylethanone)?
The canonical SMILES for phosphoric acid;bis(2,2,2-trifluoro-1-morpholin-4-ylethanone) is O=C(N1CCOCC1)C(F)(F)F.O=C(N1CCOCC1)C(F)(F)F.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;bis(2,2,2-trifluoro-1-morpholin-4-ylethanone)?
The InChIKey is IUBPLXCZCPIFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H8F3NO2.H3O4P/c2*7-6(8,9)5(11)10-1-3-12-4-2-10;1-5(2,3)4/h2*1-4H2;(H3,1,2,3,4).
What are the key properties of phosphoric acid;bis(2,2,2-trifluoro-1-morpholin-4-ylethanone)?
phosphoric acid;bis(2,2,2-trifluoro-1-morpholin-4-ylethanone) has a molecular weight of 464.25 g/mol, XLogP of -0.11, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;bis(2,2,2-trifluoro-1-morpholin-4-ylethanone) is sourced from PubChem (CID 118496995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).