2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetaldehyde

C6H7F6O4P — CID 130422024

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

About 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetaldehyde

2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetaldehyde (PubChem CID 130422024) has the molecular formula C6H7F6O4P and a molecular weight of 288.08 g/mol. Its IUPAC name is 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetaldehyde.

Molecular Properties

Compound Name2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetaldehyde
PubChem CID130422024
Molecular FormulaC6H7F6O4P
Molecular Weight288.08 g/mol
Exact Mass288.00
IUPAC Name2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetaldehyde
SMILESO=CCP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H7F6O4P/c7-5(8,9)3-15-17(14,2-1-13)16-4-6(10,11)12/h1H,2-4H2
InChIKeyIANKQTQZMFBVBE-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'}

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Related Compounds

2-[Bis(2,2,2-trifluoroethoxy)phosphoryl]ethenone
CID 53968756
2-[2,2,2-Trifluoroethoxy(2,2,2-trifluoroethyl)phosphoryl]oxyacetaldehyde
CID 57139528
2-Diethoxyphosphoryl-2,2-difluoroacetaldehyde
CID 71662165
1-[Bis(2,2,2-trifluoroethoxy)phosphoryl]ethanone
CID 87531863
Bis(2,2,2-trifluoroethoxy)phosphorylformaldehyde
CID 87699781
2-[2,2,2-Trifluoroethoxy(2,2,2-trifluoroethyl)phosphoryl]oxyethenone
CID 88353024
2-[Bis(2,2,2-trifluoroethylperoxy)phosphoryl]acetaldehyde
CID 130422025
Lithium;formaldehyde;2,2,2-trifluoroethoxy(trifluoromethyl)phosphinate
CID 165033649

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetaldehyde?
The IUPAC name of 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetaldehyde (CID 130422024) is 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetaldehyde.
What is the SMILES notation for 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetaldehyde?
The canonical SMILES for 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetaldehyde is O=CCP(=O)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetaldehyde?
The InChIKey is IANKQTQZMFBVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F6O4P/c7-5(8,9)3-15-17(14,2-1-13)16-4-6(10,11)12/h1H,2-4H2.
What are the key properties of 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetaldehyde?
2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetaldehyde 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-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetaldehyde is sourced from PubChem (CID 130422024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).