3-[prop-2-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene

C8H12F3O3P — CID 87155765

IUPAC3-[prop-2-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene
SMILESC=CCOP(=O)(CC(F)(F)F)OCC=C
InChIInChI=1S/C8H12F3O3P/c1-3-5-13-15(12,14-6-4-2)7-8(9,10)11/h3-4H,1-2,5-7H2
InChIKeyAJGOAKBPTFDIIF-UHFFFAOYSA-N
MW244.15 g/mol
LogP3.15
Rot. Bonds7

About 3-[prop-2-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene

3-[prop-2-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene (PubChem CID 87155765) has the molecular formula C8H12F3O3P and a molecular weight of 244.15 g/mol. Its IUPAC name is 3-[prop-2-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene.

Molecular Properties

Compound Name3-[prop-2-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene
PubChem CID87155765
Molecular FormulaC8H12F3O3P
Molecular Weight244.15 g/mol
Exact Mass244.05
IUPAC Name3-[prop-2-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene
SMILESC=CCOP(=O)(CC(F)(F)F)OCC=C
InChIInChI=1S/C8H12F3O3P/c1-3-5-13-15(12,14-6-4-2)7-8(9,10)11/h3-4H,1-2,5-7H2
InChIKeyAJGOAKBPTFDIIF-UHFFFAOYSA-N
XLogP3.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.15
LogP ≤ 53.15
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-[prop-2-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene?
The IUPAC name of 3-[prop-2-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene (CID 87155765) is 3-[prop-2-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene.
What is the SMILES notation for 3-[prop-2-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene?
The canonical SMILES for 3-[prop-2-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene is C=CCOP(=O)(CC(F)(F)F)OCC=C.
What is the InChIKey of 3-[prop-2-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene?
The InChIKey is AJGOAKBPTFDIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3O3P/c1-3-5-13-15(12,14-6-4-2)7-8(9,10)11/h3-4H,1-2,5-7H2.
What are the key properties of 3-[prop-2-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene?
3-[prop-2-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene has a molecular weight of 244.15 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[prop-2-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene is sourced from PubChem (CID 87155765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).