ethoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium

C6H9F3O2P+ — CID 154510724

IUPACethoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium
SMILESCCO[P+](=O)C=CCC(F)(F)F
InChIInChI=1S/C6H9F3O2P/c1-2-11-12(10)5-3-4-6(7,8)9/h3,5H,2,4H2,1H3/q+1
InChIKeyAKCFDJMXXNNTLK-UHFFFAOYSA-N
MW201.10 g/mol
LogP3.23
Rot. Bonds4

About ethoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium

ethoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium (PubChem CID 154510724) has the molecular formula C6H9F3O2P+ and a molecular weight of 201.10 g/mol. Its IUPAC name is ethoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium.

Molecular Properties

Compound Nameethoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium
PubChem CID154510724
Molecular FormulaC6H9F3O2P+
Molecular Weight201.10 g/mol
Exact Mass201.03
IUPAC Nameethoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium
SMILESCCO[P+](=O)C=CCC(F)(F)F
InChIInChI=1S/C6H9F3O2P/c1-2-11-12(10)5-3-4-6(7,8)9/h3,5H,2,4H2,1H3/q+1
InChIKeyAKCFDJMXXNNTLK-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.10
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl(1,1-difluoro-3-butenyl)phosphonate
CID 10353710
(Z)-1-diethoxyphosphoryl-2,3,3,4,4,4-hexafluorobut-1-ene
CID 13196904
(E)-1-diethoxyphosphoryl-3-fluoroprop-1-ene
CID 12713685
(E)-1-diethoxyphosphoryl-3-fluorobut-1-ene
CID 13635635
(E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
CID 14268060
4-Diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene
CID 14268063
3-Diethoxyphosphoryl-3,3-difluoroprop-1-ene
CID 15418131
3-Diethoxyphosphoryl-3-fluoroprop-1-ene
CID 15449243
(Z)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
CID 139264136
Ethyl vinylethylphosphinate
CID 57055888
Ethyl ethylvinylphosphinate
CID 129687000
4-Diethoxyphosphoryl-4-fluorobut-1-ene
CID 10774791

Frequently Asked Questions

What is the IUPAC name of ethoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium?
The IUPAC name of ethoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium (CID 154510724) is ethoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium.
What is the SMILES notation for ethoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium?
The canonical SMILES for ethoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium is CCO[P+](=O)C=CCC(F)(F)F.
What is the InChIKey of ethoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium?
The InChIKey is AKCFDJMXXNNTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2P/c1-2-11-12(10)5-3-4-6(7,8)9/h3,5H,2,4H2,1H3/q+1.
What are the key properties of ethoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium?
ethoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium has a molecular weight of 201.10 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium is sourced from PubChem (CID 154510724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).