2-[2,2,2-trifluoroethoxy(2,2,2-trifluoroethyl)phosphoryl]oxyacetaldehyde

C6H7F6O4P — CID 57139528

IUPAC2-[2,2,2-trifluoroethoxy(2,2,2-trifluoroethyl)phosphoryl]oxyacetaldehyde
SMILESO=CCOP(=O)(CC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H7F6O4P/c7-5(8,9)3-16-17(14,15-2-1-13)4-6(10,11)12/h1H,2-4H2
InChIKeyPNQCQBCYCINPBG-UHFFFAOYSA-N
MW288.08 g/mol
LogP2.54
Rot. Bonds6

About 2-[2,2,2-trifluoroethoxy(2,2,2-trifluoroethyl)phosphoryl]oxyacetaldehyde

2-[2,2,2-trifluoroethoxy(2,2,2-trifluoroethyl)phosphoryl]oxyacetaldehyde (PubChem CID 57139528) has the molecular formula C6H7F6O4P and a molecular weight of 288.08 g/mol. Its IUPAC name is 2-[2,2,2-trifluoroethoxy(2,2,2-trifluoroethyl)phosphoryl]oxyacetaldehyde.

Molecular Properties

Compound Name2-[2,2,2-trifluoroethoxy(2,2,2-trifluoroethyl)phosphoryl]oxyacetaldehyde
PubChem CID57139528
Molecular FormulaC6H7F6O4P
Molecular Weight288.08 g/mol
Exact Mass288.00
IUPAC Name2-[2,2,2-trifluoroethoxy(2,2,2-trifluoroethyl)phosphoryl]oxyacetaldehyde
SMILESO=CCOP(=O)(CC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H7F6O4P/c7-5(8,9)3-16-17(14,15-2-1-13)4-6(10,11)12/h1H,2-4H2
InChIKeyPNQCQBCYCINPBG-UHFFFAOYSA-N
XLogP2.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.08
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2,2,2-trifluoroethoxy(2,2,2-trifluoroethyl)phosphoryl]oxyacetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2,2,2-trifluoroethoxy(2,2,2-trifluoroethyl)phosphoryl]oxyacetaldehyde?
The IUPAC name of 2-[2,2,2-trifluoroethoxy(2,2,2-trifluoroethyl)phosphoryl]oxyacetaldehyde (CID 57139528) is 2-[2,2,2-trifluoroethoxy(2,2,2-trifluoroethyl)phosphoryl]oxyacetaldehyde.
What is the SMILES notation for 2-[2,2,2-trifluoroethoxy(2,2,2-trifluoroethyl)phosphoryl]oxyacetaldehyde?
The canonical SMILES for 2-[2,2,2-trifluoroethoxy(2,2,2-trifluoroethyl)phosphoryl]oxyacetaldehyde is O=CCOP(=O)(CC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 2-[2,2,2-trifluoroethoxy(2,2,2-trifluoroethyl)phosphoryl]oxyacetaldehyde?
The InChIKey is PNQCQBCYCINPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F6O4P/c7-5(8,9)3-16-17(14,15-2-1-13)4-6(10,11)12/h1H,2-4H2.
What are the key properties of 2-[2,2,2-trifluoroethoxy(2,2,2-trifluoroethyl)phosphoryl]oxyacetaldehyde?
2-[2,2,2-trifluoroethoxy(2,2,2-trifluoroethyl)phosphoryl]oxyacetaldehyde has a molecular weight of 288.08 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2,2-trifluoroethoxy(2,2,2-trifluoroethyl)phosphoryl]oxyacetaldehyde is sourced from PubChem (CID 57139528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).