methoxycarbonyl-oxo-(2,2,3,3,3-pentafluoropropoxy)phosphanium

C5H5F5O4P+ — CID 130463731

IUPACmethoxycarbonyl-oxo-(2,2,3,3,3-pentafluoropropoxy)phosphanium
SMILESCOC(=O)[P+](=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F5O4P/c1-13-3(11)15(12)14-2-4(6,7)5(8,9)10/h2H2,1H3/q+1
InChIKeyYMNJPYVLSUEEPO-UHFFFAOYSA-N
MW255.05 g/mol
LogP2.71
Rot. Bonds4

About methoxycarbonyl-oxo-(2,2,3,3,3-pentafluoropropoxy)phosphanium

methoxycarbonyl-oxo-(2,2,3,3,3-pentafluoropropoxy)phosphanium (PubChem CID 130463731) has the molecular formula C5H5F5O4P+ and a molecular weight of 255.05 g/mol. Its IUPAC name is methoxycarbonyl-oxo-(2,2,3,3,3-pentafluoropropoxy)phosphanium.

Molecular Properties

Compound Namemethoxycarbonyl-oxo-(2,2,3,3,3-pentafluoropropoxy)phosphanium
PubChem CID130463731
Molecular FormulaC5H5F5O4P+
Molecular Weight255.05 g/mol
Exact Mass254.98
IUPAC Namemethoxycarbonyl-oxo-(2,2,3,3,3-pentafluoropropoxy)phosphanium
SMILESCOC(=O)[P+](=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F5O4P/c1-13-3(11)15(12)14-2-4(6,7)5(8,9)10/h2H2,1H3/q+1
InChIKeyYMNJPYVLSUEEPO-UHFFFAOYSA-N
XLogP2.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.05
LogP ≤ 52.71
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

methyl 2-(2,2,3,3,3-pentafluoropropoxy)acetate
CID 154691532
2,2,3,3,3-pentafluoropropyl N-methylcarbamate
CID 141285838
1,1,1,2,2-pentafluoro-3-methoxypropane
CID 2776015
2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)carbamate
CID 141285834
methyl 3,3,4,4,4-pentafluorobutyl carbonate
CID 154933839
but-1-en-2-yl-oxo-(2,2,2-trifluoroethoxy)phosphanium
CID 87623279
oxo-prop-1-en-2-yl-(2,2,2-trifluoroethoxy)phosphanium
CID 87624153
methyl 5,5,6,6,6-pentafluoro-3-oxohexanoate
CID 141036944
(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8-methoxycarbonyloxyoctyl) methyl carbonate
CID 122607499
methyl 2,2,5,5,6,6,9,9,10,10,10-undecafluorodecanoate
CID 87161863
2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate
CID 23155340
methyl 11,11,12,12,12-pentafluorododecanoate
CID 11324149

Frequently Asked Questions

What is the IUPAC name of methoxycarbonyl-oxo-(2,2,3,3,3-pentafluoropropoxy)phosphanium?
The IUPAC name of methoxycarbonyl-oxo-(2,2,3,3,3-pentafluoropropoxy)phosphanium (CID 130463731) is methoxycarbonyl-oxo-(2,2,3,3,3-pentafluoropropoxy)phosphanium.
What is the SMILES notation for methoxycarbonyl-oxo-(2,2,3,3,3-pentafluoropropoxy)phosphanium?
The canonical SMILES for methoxycarbonyl-oxo-(2,2,3,3,3-pentafluoropropoxy)phosphanium is COC(=O)[P+](=O)OCC(F)(F)C(F)(F)F.
What is the InChIKey of methoxycarbonyl-oxo-(2,2,3,3,3-pentafluoropropoxy)phosphanium?
The InChIKey is YMNJPYVLSUEEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5O4P/c1-13-3(11)15(12)14-2-4(6,7)5(8,9)10/h2H2,1H3/q+1.
What are the key properties of methoxycarbonyl-oxo-(2,2,3,3,3-pentafluoropropoxy)phosphanium?
methoxycarbonyl-oxo-(2,2,3,3,3-pentafluoropropoxy)phosphanium has a molecular weight of 255.05 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycarbonyl-oxo-(2,2,3,3,3-pentafluoropropoxy)phosphanium is sourced from PubChem (CID 130463731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).