1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid

C4H12F2O6P2 — CID 87482421

IUPAC1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid
SMILESCCOP(=O)(F)OCC.O=P(O)(O)F
InChIInChI=1S/C4H10FO3P.FH2O3P/c1-3-7-9(5,6)8-4-2;1-5(2,3)4/h3-4H2,1-2H3;(H2,2,3,4)
InChIKeyOVOPIACWLMHBDS-UHFFFAOYSA-N
MW256.08 g/mol
LogP2.19
Rot. Bonds4

About 1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid

1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid (PubChem CID 87482421) has the molecular formula C4H12F2O6P2 and a molecular weight of 256.08 g/mol. Its IUPAC name is 1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid.

Molecular Properties

Compound Name1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid
PubChem CID87482421
Molecular FormulaC4H12F2O6P2
Molecular Weight256.08 g/mol
Exact Mass256.01
IUPAC Name1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid
SMILESCCOP(=O)(F)OCC.O=P(O)(O)F
InChIInChI=1S/C4H10FO3P.FH2O3P/c1-3-7-9(5,6)8-4-2;1-5(2,3)4/h3-4H2,1-2H3;(H2,2,3,4)
InChIKeyOVOPIACWLMHBDS-UHFFFAOYSA-N
XLogP2.19
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.08
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
copper;diethyl hydrogen phosphate
CID 174593393
alumane;ethyl dihydrogen phosphate
CID 173113989
CID 54611578
CID 54611578
diethyl hydrogen phosphate;sulfane
CID 88774651
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
diethyl hydrogen phosphate;scandium
CID 54607585
CID 87495286
CID 87495286
ethoxy(fluoromethyl)phosphinic acid
CID 150160120
potassium;tris(ethyl dihydrogen phosphate);hydride
CID 173395794
ethyl dihydrogen phosphate;trimethyl phosphate
CID 160912301

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid?
The IUPAC name of 1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid (CID 87482421) is 1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid.
What is the SMILES notation for 1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid?
The canonical SMILES for 1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid is CCOP(=O)(F)OCC.O=P(O)(O)F.
What is the InChIKey of 1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid?
The InChIKey is OVOPIACWLMHBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FO3P.FH2O3P/c1-3-7-9(5,6)8-4-2;1-5(2,3)4/h3-4H2,1-2H3;(H2,2,3,4).
What are the key properties of 1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid?
1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid has a molecular weight of 256.08 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid is sourced from PubChem (CID 87482421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).