(E)-1-diethoxyphosphoryl-3-fluorohex-1-ene

C10H20FO3P — CID 11322355

IUPAC(E)-1-diethoxyphosphoryl-3-fluorohex-1-ene
SMILESCCCC(F)/C=C/P(=O)(OCC)OCC
InChIInChI=1S/C10H20FO3P/c1-4-7-10(11)8-9-15(12,13-5-2)14-6-3/h8-10H,4-7H2,1-3H3/b9-8+
InChIKeyJMCKENFCALSIAC-CMDGGOBGSA-N
MW238.24 g/mol
LogP3.90
Rot. Bonds8

About (E)-1-diethoxyphosphoryl-3-fluorohex-1-ene

(E)-1-diethoxyphosphoryl-3-fluorohex-1-ene (PubChem CID 11322355) has the molecular formula C10H20FO3P and a molecular weight of 238.24 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-3-fluorohex-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-3-fluorohex-1-ene
PubChem CID11322355
Molecular FormulaC10H20FO3P
Molecular Weight238.24 g/mol
Exact Mass238.11
IUPAC Name(E)-1-diethoxyphosphoryl-3-fluorohex-1-ene
SMILESCCCC(F)/C=C/P(=O)(OCC)OCC
InChIInChI=1S/C10H20FO3P/c1-4-7-10(11)8-9-15(12,13-5-2)14-6-3/h8-10H,4-7H2,1-3H3/b9-8+
InChIKeyJMCKENFCALSIAC-CMDGGOBGSA-N
XLogP3.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-diethoxyphosphoryl-3-fluorohex-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 (E)-1-diethoxyphosphoryl-3-fluorohex-1-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-3-fluorohex-1-ene (CID 11322355) is (E)-1-diethoxyphosphoryl-3-fluorohex-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-3-fluorohex-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-3-fluorohex-1-ene is CCCC(F)/C=C/P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-3-fluorohex-1-ene?
The InChIKey is JMCKENFCALSIAC-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H20FO3P/c1-4-7-10(11)8-9-15(12,13-5-2)14-6-3/h8-10H,4-7H2,1-3H3/b9-8+.
What are the key properties of (E)-1-diethoxyphosphoryl-3-fluorohex-1-ene?
(E)-1-diethoxyphosphoryl-3-fluorohex-1-ene has a molecular weight of 238.24 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-3-fluorohex-1-ene is sourced from PubChem (CID 11322355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).