(E)-1-diethoxyphosphoryl-1-fluoro-2,3-diiodoprop-1-ene

C7H12FI2O3P — CID 10789609

IUPAC(E)-1-diethoxyphosphoryl-1-fluoro-2,3-diiodoprop-1-ene
SMILESCCOP(=O)(OCC)/C(F)=C(/I)CI
InChIInChI=1S/C7H12FI2O3P/c1-3-12-14(11,13-4-2)7(8)6(10)5-9/h3-5H2,1-2H3/b7-6+
InChIKeyDZQOPSVAOBEJBS-VOTSOKGWSA-N
MW447.95 g/mol
LogP4.26
Rot. Bonds6

About (E)-1-diethoxyphosphoryl-1-fluoro-2,3-diiodoprop-1-ene

(E)-1-diethoxyphosphoryl-1-fluoro-2,3-diiodoprop-1-ene (PubChem CID 10789609) has the molecular formula C7H12FI2O3P and a molecular weight of 447.95 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-1-fluoro-2,3-diiodoprop-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-1-fluoro-2,3-diiodoprop-1-ene
PubChem CID10789609
Molecular FormulaC7H12FI2O3P
Molecular Weight447.95 g/mol
Exact Mass447.86
IUPAC Name(E)-1-diethoxyphosphoryl-1-fluoro-2,3-diiodoprop-1-ene
SMILESCCOP(=O)(OCC)/C(F)=C(/I)CI
InChIInChI=1S/C7H12FI2O3P/c1-3-12-14(11,13-4-2)7(8)6(10)5-9/h3-5H2,1-2H3/b7-6+
InChIKeyDZQOPSVAOBEJBS-VOTSOKGWSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.95
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-diethoxyphosphoryl-1-fluoro-2,3-diiodoprop-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

(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
(E)-2-diethoxyphosphoryl-1-ethoxy-2-fluoroethenolate
CID 134863006
lithium (E)-2-diethoxyphosphoryl-2-fluoro-1-methylsulfanylethenethiolate
CID 11817964
bis(diethoxyphosphoryl)methanimine
CID 87803281
1-diethoxyphosphoryl-3-fluoropropan-1-one
CID 71349176
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
ethoxy(fluoromethyl)phosphinic acid
CID 150160120
[(Z)-1-diethoxyphosphoryl-1-fluorobut-1-en-2-yl]sulfanylbenzene
CID 101038517
1-[bis(iodomethyl)phosphoryloxy]ethane
CID 28223
1-chloro-1-diethoxyphosphorylethene
CID 11481045
(Z)-1-chloro-1-diethoxyphosphorylprop-1-ene
CID 10798622
diethoxyphosphorylcarbonyl(trihydroxy)phosphanium
CID 57080631

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-1-fluoro-2,3-diiodoprop-1-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-1-fluoro-2,3-diiodoprop-1-ene (CID 10789609) is (E)-1-diethoxyphosphoryl-1-fluoro-2,3-diiodoprop-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-1-fluoro-2,3-diiodoprop-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-1-fluoro-2,3-diiodoprop-1-ene is CCOP(=O)(OCC)/C(F)=C(/I)CI.
What is the InChIKey of (E)-1-diethoxyphosphoryl-1-fluoro-2,3-diiodoprop-1-ene?
The InChIKey is DZQOPSVAOBEJBS-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H12FI2O3P/c1-3-12-14(11,13-4-2)7(8)6(10)5-9/h3-5H2,1-2H3/b7-6+.
What are the key properties of (E)-1-diethoxyphosphoryl-1-fluoro-2,3-diiodoprop-1-ene?
(E)-1-diethoxyphosphoryl-1-fluoro-2,3-diiodoprop-1-ene has a molecular weight of 447.95 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-1-fluoro-2,3-diiodoprop-1-ene is sourced from PubChem (CID 10789609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).