4-diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene

C8H13F4O3P — CID 14268063

IUPAC4-diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene
SMILESCCOP(=O)(OCC)C(F)(F)CC=C(F)F
InChIInChI=1S/C8H13F4O3P/c1-3-14-16(13,15-4-2)8(11,12)6-5-7(9)10/h5H,3-4,6H2,1-2H3
InChIKeyYRIVKMZISLVQOR-UHFFFAOYSA-N
MW264.15 g/mol
LogP4.02
Rot. Bonds7

About 4-diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene

4-diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene (PubChem CID 14268063) has the molecular formula C8H13F4O3P and a molecular weight of 264.15 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene.

Molecular Properties

Compound Name4-diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene
PubChem CID14268063
Molecular FormulaC8H13F4O3P
Molecular Weight264.15 g/mol
Exact Mass264.05
IUPAC Name4-diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene
SMILESCCOP(=O)(OCC)C(F)(F)CC=C(F)F
InChIInChI=1S/C8H13F4O3P/c1-3-14-16(13,15-4-2)8(11,12)6-5-7(9)10/h5H,3-4,6H2,1-2H3
InChIKeyYRIVKMZISLVQOR-UHFFFAOYSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-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 4-diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene?
The IUPAC name of 4-diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene (CID 14268063) is 4-diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene.
What is the SMILES notation for 4-diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene?
The canonical SMILES for 4-diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene is CCOP(=O)(OCC)C(F)(F)CC=C(F)F.
What is the InChIKey of 4-diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene?
The InChIKey is YRIVKMZISLVQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4O3P/c1-3-14-16(13,15-4-2)8(11,12)6-5-7(9)10/h5H,3-4,6H2,1-2H3.
What are the key properties of 4-diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene?
4-diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene has a molecular weight of 264.15 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene is sourced from PubChem (CID 14268063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).