3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-one

C7H12F3O4P — CID 10988630

IUPAC3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-one
SMILESCCOP(=O)(CC(=O)C(F)(F)F)OCC
InChIInChI=1S/C7H12F3O4P/c1-3-13-15(12,14-4-2)5-6(11)7(8,9)10/h3-5H2,1-2H3
InChIKeyLTUZKKYWACXAOK-UHFFFAOYSA-N
MW248.14 g/mol
LogP2.38
Rot. Bonds6

About 3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-one

3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-one (PubChem CID 10988630) has the molecular formula C7H12F3O4P and a molecular weight of 248.14 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-one.

Molecular Properties

Compound Name3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-one
PubChem CID10988630
Molecular FormulaC7H12F3O4P
Molecular Weight248.14 g/mol
Exact Mass248.04
IUPAC Name3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-one
SMILESCCOP(=O)(CC(=O)C(F)(F)F)OCC
InChIInChI=1S/C7H12F3O4P/c1-3-13-15(12,14-4-2)5-6(11)7(8,9)10/h3-5H2,1-2H3
InChIKeyLTUZKKYWACXAOK-UHFFFAOYSA-N
XLogP2.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Diethoxyphosphorylpropan-2-one
CID 14028
1-Dibutoxyphosphoryl-1,1-difluoropropan-2-one
CID 12954312
Dimethyl (3,3,3-trifluoro-2-oxopropyl)phosphonate
CID 57624845
1-Diethoxyphosphoryl-2,2,2-trifluoroethanone
CID 13179229
1-Dimethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one
CID 11809352
1-Dibutoxyphosphoryl-1,1,3,3,3-pentafluoropropan-2-one
CID 12954317
1-Diethoxyphosphoryl-1-fluorobutan-2-one
CID 14169140
1-Chloro-3-diethoxyphosphoryl-1,1-difluoropropan-2-one
CID 134875288
Diethyl (3,3,4,4,5,5,5-Heptafluoro-2-oxopentyl)phosphonate
CID 134875289
3-Di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one
CID 134894233
4-Diethoxyphosphoryl-1,1,1-trifluorobut-3-yn-2-one
CID 164668429
1-Diethoxyphosphoryl-1-fluoro-propan-2-one
CID 10632307

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-one?
The IUPAC name of 3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-one (CID 10988630) is 3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-one.
What is the SMILES notation for 3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-one?
The canonical SMILES for 3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-one is CCOP(=O)(CC(=O)C(F)(F)F)OCC.
What is the InChIKey of 3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-one?
The InChIKey is LTUZKKYWACXAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3O4P/c1-3-13-15(12,14-4-2)5-6(11)7(8,9)10/h3-5H2,1-2H3.
What are the key properties of 3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-one?
3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-one has a molecular weight of 248.14 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 10988630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).