(E)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]but-2-ene

C8H11F6O3P — CID 87699622

IUPAC(E)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]but-2-ene
SMILESC/C=C/CP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C8H11F6O3P/c1-2-3-4-18(15,16-5-7(9,10)11)17-6-8(12,13)14/h2-3H,4-6H2,1H3/b3-2+
InChIKeyFIUSOQZGNKJEOS-NSCUHMNNSA-N
MW300.14 g/mol
LogP3.91
Rot. Bonds6

About (E)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]but-2-ene

(E)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]but-2-ene (PubChem CID 87699622) has the molecular formula C8H11F6O3P and a molecular weight of 300.14 g/mol. Its IUPAC name is (E)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]but-2-ene.

Molecular Properties

Compound Name(E)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]but-2-ene
PubChem CID87699622
Molecular FormulaC8H11F6O3P
Molecular Weight300.14 g/mol
Exact Mass300.04
IUPAC Name(E)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]but-2-ene
SMILESC/C=C/CP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C8H11F6O3P/c1-2-3-4-18(15,16-5-7(9,10)11)17-6-8(12,13)14/h2-3H,4-6H2,1H3/b3-2+
InChIKeyFIUSOQZGNKJEOS-NSCUHMNNSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.91
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'}

Analyze (E)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]but-2-ene 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 (E)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]but-2-ene?
The IUPAC name of (E)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]but-2-ene (CID 87699622) is (E)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]but-2-ene.
What is the SMILES notation for (E)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]but-2-ene?
The canonical SMILES for (E)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]but-2-ene is C/C=C/CP(=O)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of (E)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]but-2-ene?
The InChIKey is FIUSOQZGNKJEOS-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H11F6O3P/c1-2-3-4-18(15,16-5-7(9,10)11)17-6-8(12,13)14/h2-3H,4-6H2,1H3/b3-2+.
What are the key properties of (E)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]but-2-ene?
(E)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]but-2-ene has a molecular weight of 300.14 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]but-2-ene is sourced from PubChem (CID 87699622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).