(E)-1-diethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-ene

C9H12F7O3P — CID 11759357

IUPAC(E)-1-diethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-ene
SMILESCCOP(=O)(/C=C/C(F)(F)C(F)(F)C(F)(F)F)OCC
InChIInChI=1S/C9H12F7O3P/c1-3-18-20(17,19-4-2)6-5-7(10,11)8(12,13)9(14,15)16/h5-6H,3-4H2,1-2H3/b6-5+
InChIKeyFSEQJIRTXOLWMZ-AATRIKPKSA-N
MW332.15 g/mol
LogP4.60
Rot. Bonds7

About (E)-1-diethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-ene

(E)-1-diethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-ene (PubChem CID 11759357) has the molecular formula C9H12F7O3P and a molecular weight of 332.15 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-ene
PubChem CID11759357
Molecular FormulaC9H12F7O3P
Molecular Weight332.15 g/mol
Exact Mass332.04
IUPAC Name(E)-1-diethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-ene
SMILESCCOP(=O)(/C=C/C(F)(F)C(F)(F)C(F)(F)F)OCC
InChIInChI=1S/C9H12F7O3P/c1-3-18-20(17,19-4-2)6-5-7(10,11)8(12,13)9(14,15)16/h5-6H,3-4H2,1-2H3/b6-5+
InChIKeyFSEQJIRTXOLWMZ-AATRIKPKSA-N
XLogP4.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-diethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropent-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

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-fluorohex-1-ene
CID 11322355
4-Diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene
CID 14268063
3-[Ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphoryl]oxy-4,4,4-trifluorobut-1-ene
CID 87623348
4-[Ethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxy-5,5,5-trifluoropent-1-ene
CID 87623809
3-[Butyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphoryl]oxy-4,4,4-trifluorobut-1-ene
CID 87624466
4-[Butyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxy-5,5,5-trifluoropent-1-ene
CID 87624874
1,1,1-Trifluoro-2-[prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphoryl]oxypropane
CID 87625651
(E)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]but-2-ene
CID 87699622
4-[But-3-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxybut-1-ene
CID 90706509
1-[Ethyl(2,2,2-trifluoroethoxy)phosphoryl]but-1-ene
CID 90761142

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-ene (CID 11759357) is (E)-1-diethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-ene is CCOP(=O)(/C=C/C(F)(F)C(F)(F)C(F)(F)F)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-ene?
The InChIKey is FSEQJIRTXOLWMZ-AATRIKPKSA-N. The full InChI is InChI=1S/C9H12F7O3P/c1-3-18-20(17,19-4-2)6-5-7(10,11)8(12,13)9(14,15)16/h5-6H,3-4H2,1-2H3/b6-5+.
What are the key properties of (E)-1-diethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-ene?
(E)-1-diethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-ene has a molecular weight of 332.15 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-ene is sourced from PubChem (CID 11759357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).