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

C6H7F6O6P — CID 130422025

IUPAC2-[bis(2,2,2-trifluoroethylperoxy)phosphoryl]acetaldehyde
SMILESO=CCP(=O)(OOCC(F)(F)F)OOCC(F)(F)F
InChIInChI=1S/C6H7F6O6P/c7-5(8,9)3-15-17-19(14,2-1-13)18-16-4-6(10,11)12/h1H,2-4H2
InChIKeyNZSGQSMRPSELOI-UHFFFAOYSA-N
MW320.08 g/mol
LogP2.40
Rot. Bonds8

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

2-[bis(2,2,2-trifluoroethylperoxy)phosphoryl]acetaldehyde (PubChem CID 130422025) has the molecular formula C6H7F6O6P and a molecular weight of 320.08 g/mol. Its IUPAC name is 2-[bis(2,2,2-trifluoroethylperoxy)phosphoryl]acetaldehyde.

Molecular Properties

Compound Name2-[bis(2,2,2-trifluoroethylperoxy)phosphoryl]acetaldehyde
PubChem CID130422025
Molecular FormulaC6H7F6O6P
Molecular Weight320.08 g/mol
Exact Mass319.99
IUPAC Name2-[bis(2,2,2-trifluoroethylperoxy)phosphoryl]acetaldehyde
SMILESO=CCP(=O)(OOCC(F)(F)F)OOCC(F)(F)F
InChIInChI=1S/C6H7F6O6P/c7-5(8,9)3-15-17-19(14,2-1-13)18-16-4-6(10,11)12/h1H,2-4H2
InChIKeyNZSGQSMRPSELOI-UHFFFAOYSA-N
XLogP2.40
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.08
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 57139528
CID 57139528
CID 130422024
CID 130422024

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2,2,2-trifluoroethylperoxy)phosphoryl]acetaldehyde?
The IUPAC name of 2-[bis(2,2,2-trifluoroethylperoxy)phosphoryl]acetaldehyde (CID 130422025) is 2-[bis(2,2,2-trifluoroethylperoxy)phosphoryl]acetaldehyde.
What is the SMILES notation for 2-[bis(2,2,2-trifluoroethylperoxy)phosphoryl]acetaldehyde?
The canonical SMILES for 2-[bis(2,2,2-trifluoroethylperoxy)phosphoryl]acetaldehyde is O=CCP(=O)(OOCC(F)(F)F)OOCC(F)(F)F.
What is the InChIKey of 2-[bis(2,2,2-trifluoroethylperoxy)phosphoryl]acetaldehyde?
The InChIKey is NZSGQSMRPSELOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F6O6P/c7-5(8,9)3-15-17-19(14,2-1-13)18-16-4-6(10,11)12/h1H,2-4H2.
What are the key properties of 2-[bis(2,2,2-trifluoroethylperoxy)phosphoryl]acetaldehyde?
2-[bis(2,2,2-trifluoroethylperoxy)phosphoryl]acetaldehyde has a molecular weight of 320.08 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2,2,2-trifluoroethylperoxy)phosphoryl]acetaldehyde is sourced from PubChem (CID 130422025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).