(1-acetyloxy-2,2,3,3,3-pentafluoropropyl)-ethoxy-oxophosphanium

C7H9F5O4P+ — CID 130464338

IUPAC(1-acetyloxy-2,2,3,3,3-pentafluoropropyl)-ethoxy-oxophosphanium
SMILESCCO[P+](=O)C(OC(C)=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F5O4P/c1-3-15-17(14)5(16-4(2)13)6(8,9)7(10,11)12/h5H,3H2,1-2H3/q+1
InChIKeyLITVIVRIEDJFSG-UHFFFAOYSA-N
MW283.11 g/mol
LogP2.85
Rot. Bonds5

About (1-acetyloxy-2,2,3,3,3-pentafluoropropyl)-ethoxy-oxophosphanium

(1-acetyloxy-2,2,3,3,3-pentafluoropropyl)-ethoxy-oxophosphanium (PubChem CID 130464338) has the molecular formula C7H9F5O4P+ and a molecular weight of 283.11 g/mol. Its IUPAC name is (1-acetyloxy-2,2,3,3,3-pentafluoropropyl)-ethoxy-oxophosphanium.

Molecular Properties

Compound Name(1-acetyloxy-2,2,3,3,3-pentafluoropropyl)-ethoxy-oxophosphanium
PubChem CID130464338
Molecular FormulaC7H9F5O4P+
Molecular Weight283.11 g/mol
Exact Mass283.02
IUPAC Name(1-acetyloxy-2,2,3,3,3-pentafluoropropyl)-ethoxy-oxophosphanium
SMILESCCO[P+](=O)C(OC(C)=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F5O4P/c1-3-15-17(14)5(16-4(2)13)6(8,9)7(10,11)12/h5H,3H2,1-2H3/q+1
InChIKeyLITVIVRIEDJFSG-UHFFFAOYSA-N
XLogP2.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2-pentafluoropentan-3-yl acetate
CID 154326138
(1-acetyloxy-2,2,3,3,3-pentafluoropropyl) acetate
CID 58963600
ethoxy-oxo-(3-oxobutan-2-yl)phosphanium
CID 130464025
acetyl-ethoxy-oxophosphanium
CID 87455010
1-(2-ethoxyethoxy)ethyl acetate
CID 18790900
ethoxy-(2-fluoro-3-oxobutyl)-oxophosphanium
CID 130464055
[(2S)-3,3,4,4,4-pentafluorobutan-2-yl] 2-methylpropanoate
CID 153060888
CID 158506606
CID 158506606
1-ethoxy-2,2,3,3,3-pentafluoropropan-1-ol;ethyl 2,2,3,3,3-pentafluoropropanoate
CID 160970563
propane;propan-2-yl acetate
CID 23325886
[bromo(difluoro)methyl]-ethoxy-oxophosphanium
CID 176768502
3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane
CID 54448853

Frequently Asked Questions

What is the IUPAC name of (1-acetyloxy-2,2,3,3,3-pentafluoropropyl)-ethoxy-oxophosphanium?
The IUPAC name of (1-acetyloxy-2,2,3,3,3-pentafluoropropyl)-ethoxy-oxophosphanium (CID 130464338) is (1-acetyloxy-2,2,3,3,3-pentafluoropropyl)-ethoxy-oxophosphanium.
What is the SMILES notation for (1-acetyloxy-2,2,3,3,3-pentafluoropropyl)-ethoxy-oxophosphanium?
The canonical SMILES for (1-acetyloxy-2,2,3,3,3-pentafluoropropyl)-ethoxy-oxophosphanium is CCO[P+](=O)C(OC(C)=O)C(F)(F)C(F)(F)F.
What is the InChIKey of (1-acetyloxy-2,2,3,3,3-pentafluoropropyl)-ethoxy-oxophosphanium?
The InChIKey is LITVIVRIEDJFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F5O4P/c1-3-15-17(14)5(16-4(2)13)6(8,9)7(10,11)12/h5H,3H2,1-2H3/q+1.
What are the key properties of (1-acetyloxy-2,2,3,3,3-pentafluoropropyl)-ethoxy-oxophosphanium?
(1-acetyloxy-2,2,3,3,3-pentafluoropropyl)-ethoxy-oxophosphanium has a molecular weight of 283.11 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyloxy-2,2,3,3,3-pentafluoropropyl)-ethoxy-oxophosphanium is sourced from PubChem (CID 130464338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).