ethoxy-oxo-(2,2,2-trifluoroethoxycarbonyl)phosphanium

C5H7F3O4P+ — CID 130463704

IUPACethoxy-oxo-(2,2,2-trifluoroethoxycarbonyl)phosphanium
SMILESCCO[P+](=O)C(=O)OCC(F)(F)F
InChIInChI=1S/C5H7F3O4P/c1-2-12-13(10)4(9)11-3-5(6,7)8/h2-3H2,1H3/q+1
InChIKeyTVXLQSUJJKDSTJ-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.46
Rot. Bonds4

About ethoxy-oxo-(2,2,2-trifluoroethoxycarbonyl)phosphanium

ethoxy-oxo-(2,2,2-trifluoroethoxycarbonyl)phosphanium (PubChem CID 130463704) has the molecular formula C5H7F3O4P+ and a molecular weight of 219.07 g/mol. Its IUPAC name is ethoxy-oxo-(2,2,2-trifluoroethoxycarbonyl)phosphanium.

Molecular Properties

Compound Nameethoxy-oxo-(2,2,2-trifluoroethoxycarbonyl)phosphanium
PubChem CID130463704
Molecular FormulaC5H7F3O4P+
Molecular Weight219.07 g/mol
Exact Mass219.00
IUPAC Nameethoxy-oxo-(2,2,2-trifluoroethoxycarbonyl)phosphanium
SMILESCCO[P+](=O)C(=O)OCC(F)(F)F
InChIInChI=1S/C5H7F3O4P/c1-2-12-13(10)4(9)11-3-5(6,7)8/h2-3H2,1H3/q+1
InChIKeyTVXLQSUJJKDSTJ-UHFFFAOYSA-N
XLogP2.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.46
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

Nsc 634137
CID 184894
Difluoro(diethoxyphosphinyl)acetic acid ethyl ester
CID 10879818
Methyl 2-[methoxy(2,2,2-trifluoroethoxy)phosphoryl]acetate
CID 365974
Methyl 2-diethoxyphosphoryl-2,2-difluoroacetate
CID 13464943
Methyl 2-[ethoxy(2,2,2-trifluoroethoxy)phosphoryl]acetate
CID 21575965
(2-Methoxy-2-oxoethyl)-(2,2,2-trifluoroethoxy)phosphinic acid
CID 54284712
Ethoxy-(2-ethoxy-1,1-difluoro-2-oxoethyl)phosphinic acid
CID 57078250
(1-Dimethoxyphosphoryl-2,2,2-trifluoroethyl) acetate
CID 85755438
(1-Dimethoxyphosphoryl-2,2,2-trifluoroethyl) methyl carbonate
CID 85755441
Butyl bis(2,2,2-trifluoroethoxy)phosphorylformate
CID 87358741
Methyl bis(2,2,2-trifluoroethoxy)phosphorylformate
CID 87358880
Ethyl bis(2,2,2-trifluoroethoxy)phosphorylformate
CID 87359199

Frequently Asked Questions

What is the IUPAC name of ethoxy-oxo-(2,2,2-trifluoroethoxycarbonyl)phosphanium?
The IUPAC name of ethoxy-oxo-(2,2,2-trifluoroethoxycarbonyl)phosphanium (CID 130463704) is ethoxy-oxo-(2,2,2-trifluoroethoxycarbonyl)phosphanium.
What is the SMILES notation for ethoxy-oxo-(2,2,2-trifluoroethoxycarbonyl)phosphanium?
The canonical SMILES for ethoxy-oxo-(2,2,2-trifluoroethoxycarbonyl)phosphanium is CCO[P+](=O)C(=O)OCC(F)(F)F.
What is the InChIKey of ethoxy-oxo-(2,2,2-trifluoroethoxycarbonyl)phosphanium?
The InChIKey is TVXLQSUJJKDSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O4P/c1-2-12-13(10)4(9)11-3-5(6,7)8/h2-3H2,1H3/q+1.
What are the key properties of ethoxy-oxo-(2,2,2-trifluoroethoxycarbonyl)phosphanium?
ethoxy-oxo-(2,2,2-trifluoroethoxycarbonyl)phosphanium has a molecular weight of 219.07 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-(2,2,2-trifluoroethoxycarbonyl)phosphanium is sourced from PubChem (CID 130463704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).