3-[bis(2,2,2-trifluoroethoxy)phosphoryl]prop-1-ene

C7H9F6O3P — CID 24778233

IUPAC3-[bis(2,2,2-trifluoroethoxy)phosphoryl]prop-1-ene
SMILESC=CCP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C7H9F6O3P/c1-2-3-17(14,15-4-6(8,9)10)16-5-7(11,12)13/h2H,1,3-5H2
InChIKeyAUHQPXBEJQHIIJ-UHFFFAOYSA-N
MW286.11 g/mol
LogP3.52
Rot. Bonds6

About 3-[bis(2,2,2-trifluoroethoxy)phosphoryl]prop-1-ene

3-[bis(2,2,2-trifluoroethoxy)phosphoryl]prop-1-ene (PubChem CID 24778233) has the molecular formula C7H9F6O3P and a molecular weight of 286.11 g/mol. Its IUPAC name is 3-[bis(2,2,2-trifluoroethoxy)phosphoryl]prop-1-ene.

Molecular Properties

Compound Name3-[bis(2,2,2-trifluoroethoxy)phosphoryl]prop-1-ene
PubChem CID24778233
Molecular FormulaC7H9F6O3P
Molecular Weight286.11 g/mol
Exact Mass286.02
IUPAC Name3-[bis(2,2,2-trifluoroethoxy)phosphoryl]prop-1-ene
SMILESC=CCP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C7H9F6O3P/c1-2-3-17(14,15-4-6(8,9)10)16-5-7(11,12)13/h2H,1,3-5H2
InChIKeyAUHQPXBEJQHIIJ-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2,2,2-trifluoroethoxy)phosphoryl]prop-1-ene?
The IUPAC name of 3-[bis(2,2,2-trifluoroethoxy)phosphoryl]prop-1-ene (CID 24778233) is 3-[bis(2,2,2-trifluoroethoxy)phosphoryl]prop-1-ene.
What is the SMILES notation for 3-[bis(2,2,2-trifluoroethoxy)phosphoryl]prop-1-ene?
The canonical SMILES for 3-[bis(2,2,2-trifluoroethoxy)phosphoryl]prop-1-ene is C=CCP(=O)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 3-[bis(2,2,2-trifluoroethoxy)phosphoryl]prop-1-ene?
The InChIKey is AUHQPXBEJQHIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6O3P/c1-2-3-17(14,15-4-6(8,9)10)16-5-7(11,12)13/h2H,1,3-5H2.
What are the key properties of 3-[bis(2,2,2-trifluoroethoxy)phosphoryl]prop-1-ene?
3-[bis(2,2,2-trifluoroethoxy)phosphoryl]prop-1-ene has a molecular weight of 286.11 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2,2,2-trifluoroethoxy)phosphoryl]prop-1-ene is sourced from PubChem (CID 24778233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).