ethoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium

C6H9F3O5P+ — CID 130464334

IUPACethoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium
SMILESCCO[P+](=O)C(OC(=O)OC)C(F)(F)F
InChIInChI=1S/C6H9F3O5P/c1-3-13-15(11)4(6(7,8)9)14-5(10)12-2/h4H,3H2,1-2H3/q+1
InChIKeyQSKYJCXWHGIQSL-UHFFFAOYSA-N
MW249.10 g/mol
LogP2.44
Rot. Bonds4

About ethoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium

ethoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium (PubChem CID 130464334) has the molecular formula C6H9F3O5P+ and a molecular weight of 249.10 g/mol. Its IUPAC name is ethoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium.

Molecular Properties

Compound Nameethoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium
PubChem CID130464334
Molecular FormulaC6H9F3O5P+
Molecular Weight249.10 g/mol
Exact Mass249.01
IUPAC Nameethoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium
SMILESCCO[P+](=O)C(OC(=O)OC)C(F)(F)F
InChIInChI=1S/C6H9F3O5P/c1-3-13-15(11)4(6(7,8)9)14-5(10)12-2/h4H,3H2,1-2H3/q+1
InChIKeyQSKYJCXWHGIQSL-UHFFFAOYSA-N
XLogP2.44
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-[methoxy(2,2,2-trifluoroethoxy)phosphoryl]acetate
CID 365974
Methyl 2-[ethoxy(2,2,2-trifluoroethoxy)phosphoryl]acetate
CID 21575965
(1-Dimethoxyphosphoryl-2,2,2-trifluoroethyl) methyl carbonate
CID 85755441
Ethyl bis(2,2,2-trifluoroethoxy)phosphorylformate
CID 87359199
(2,2,2-Trifluoro-1-methoxycarbonyloxyethyl)phosphonic acid
CID 88257358
Dihydroxy(oxo)phosphanium;methyl 2,2,2-trifluoroethyl carbonate
CID 88257360
[(1R)-2,2,2-trifluoro-1-methoxycarbonyloxyethyl]phosphonic acid
CID 88288222
[(1S)-2,2,2-trifluoro-1-methoxycarbonyloxyethyl]phosphonic acid
CID 88288389
2,2,2-Trifluoroethyl [ethoxy(2,2,2-trifluoroethoxy)phosphoryl]formate
CID 90759241
Lithium;2,2-difluoroethoxycarbonyl(ethoxy)phosphinate
CID 130449080
Ethoxy-oxo-(2,2,2-trifluoroethoxycarbonyl)phosphanium
CID 130463704
2,2-Difluoroethoxy-methoxycarbonyl-oxophosphanium
CID 130463713

Frequently Asked Questions

What is the IUPAC name of ethoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium?
The IUPAC name of ethoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium (CID 130464334) is ethoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium.
What is the SMILES notation for ethoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium?
The canonical SMILES for ethoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium is CCO[P+](=O)C(OC(=O)OC)C(F)(F)F.
What is the InChIKey of ethoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium?
The InChIKey is QSKYJCXWHGIQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O5P/c1-3-13-15(11)4(6(7,8)9)14-5(10)12-2/h4H,3H2,1-2H3/q+1.
What are the key properties of ethoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium?
ethoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium has a molecular weight of 249.10 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium is sourced from PubChem (CID 130464334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).