oxido-oxo-(4,4,4-trifluoro-2-oxobutoxy)phosphanium

C4H4F3O4P — CID 57355994

IUPACoxido-oxo-(4,4,4-trifluoro-2-oxobutoxy)phosphanium
SMILESO=C(CO[P+](=O)[O-])CC(F)(F)F
InChIInChI=1S/C4H4F3O4P/c5-4(6,7)1-3(8)2-11-12(9)10/h1-2H2
InChIKeyYTLGMIRNZFFKFU-UHFFFAOYSA-N
MW204.04 g/mol
LogP0.54
Rot. Bonds4

About oxido-oxo-(4,4,4-trifluoro-2-oxobutoxy)phosphanium

oxido-oxo-(4,4,4-trifluoro-2-oxobutoxy)phosphanium (PubChem CID 57355994) has the molecular formula C4H4F3O4P and a molecular weight of 204.04 g/mol. Its IUPAC name is oxido-oxo-(4,4,4-trifluoro-2-oxobutoxy)phosphanium.

Molecular Properties

Compound Nameoxido-oxo-(4,4,4-trifluoro-2-oxobutoxy)phosphanium
PubChem CID57355994
Molecular FormulaC4H4F3O4P
Molecular Weight204.04 g/mol
Exact Mass203.98
IUPAC Nameoxido-oxo-(4,4,4-trifluoro-2-oxobutoxy)phosphanium
SMILESO=C(CO[P+](=O)[O-])CC(F)(F)F
InChIInChI=1S/C4H4F3O4P/c5-4(6,7)1-3(8)2-11-12(9)10/h1-2H2
InChIKeyYTLGMIRNZFFKFU-UHFFFAOYSA-N
XLogP0.54
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.04
LogP ≤ 50.54
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

4,4,4-trifluoro-1-propan-2-yloxybutan-2-one
CID 79568383
1,1,1,7,7,7-hexafluoroheptane-3,5-dione
CID 130398258
(4,4,4-trifluoro-2-oxobutyl) benzoate
CID 132573578
cesium 3,3,3-trifluoropropanoate
CID 171782209
1-(dimethylamino)-4,4,4-trifluorobutan-2-one
CID 22002035
1,1,1-trifluoro-6-methylheptan-3-one
CID 62620055
methylsulfonylmethoxy-oxido-oxophosphanium
CID 21273987
(3-amino-2-oxopropoxy)-hydroxy-oxophosphanium
CID 88694405
1,1,1-trifluorotridecan-3-one
CID 14914275
(2,2,2-trifluoroacetyl) 3,3,3-trifluoropropanoate
CID 91252797
1,1,1-trifluoro-5-(3-methylbutoxy)pentan-3-one
CID 115002299
2-acetamidoethoxy-oxido-oxophosphanium
CID 6372292

Frequently Asked Questions

What is the IUPAC name of oxido-oxo-(4,4,4-trifluoro-2-oxobutoxy)phosphanium?
The IUPAC name of oxido-oxo-(4,4,4-trifluoro-2-oxobutoxy)phosphanium (CID 57355994) is oxido-oxo-(4,4,4-trifluoro-2-oxobutoxy)phosphanium.
What is the SMILES notation for oxido-oxo-(4,4,4-trifluoro-2-oxobutoxy)phosphanium?
The canonical SMILES for oxido-oxo-(4,4,4-trifluoro-2-oxobutoxy)phosphanium is O=C(CO[P+](=O)[O-])CC(F)(F)F.
What is the InChIKey of oxido-oxo-(4,4,4-trifluoro-2-oxobutoxy)phosphanium?
The InChIKey is YTLGMIRNZFFKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3O4P/c5-4(6,7)1-3(8)2-11-12(9)10/h1-2H2.
What are the key properties of oxido-oxo-(4,4,4-trifluoro-2-oxobutoxy)phosphanium?
oxido-oxo-(4,4,4-trifluoro-2-oxobutoxy)phosphanium has a molecular weight of 204.04 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-oxo-(4,4,4-trifluoro-2-oxobutoxy)phosphanium is sourced from PubChem (CID 57355994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).