[(1E,3Z)-4-diethoxyphosphoryl-4-fluorobuta-1,3-dienyl]benzene

C14H18FO3P — CID 135002683

IUPAC[(1E,3Z)-4-diethoxyphosphoryl-4-fluorobuta-1,3-dienyl]benzene
SMILESCCOP(=O)(OCC)/C(F)=C\C=C\c1ccccc1
InChIInChI=1S/C14H18FO3P/c1-3-17-19(16,18-4-2)14(15)12-8-11-13-9-6-5-7-10-13/h5-12H,3-4H2,1-2H3/b11-8+,14-12-
InChIKeyZSJLTADXDQSBNT-FENWIEIGSA-N
MW284.27 g/mol
LogP4.78
Rot. Bonds7

About [(1E,3Z)-4-diethoxyphosphoryl-4-fluorobuta-1,3-dienyl]benzene

[(1E,3Z)-4-diethoxyphosphoryl-4-fluorobuta-1,3-dienyl]benzene (PubChem CID 135002683) has the molecular formula C14H18FO3P and a molecular weight of 284.27 g/mol. Its IUPAC name is [(1E,3Z)-4-diethoxyphosphoryl-4-fluorobuta-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1E,3Z)-4-diethoxyphosphoryl-4-fluorobuta-1,3-dienyl]benzene
PubChem CID135002683
Molecular FormulaC14H18FO3P
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Name[(1E,3Z)-4-diethoxyphosphoryl-4-fluorobuta-1,3-dienyl]benzene
SMILESCCOP(=O)(OCC)/C(F)=C\C=C\c1ccccc1
InChIInChI=1S/C14H18FO3P/c1-3-17-19(16,18-4-2)14(15)12-8-11-13-9-6-5-7-10-13/h5-12H,3-4H2,1-2H3/b11-8+,14-12-
InChIKeyZSJLTADXDQSBNT-FENWIEIGSA-N
XLogP4.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1E)-4,4-bis(diethoxyphosphoryl)buta-1,3-dienyl]-3-bromobenzene
CID 102126410
(2S,5R)-2-[(2Z,4E)-2-diethoxyphosphoryl-5-phenylpenta-2,4-dienyl]-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 102246538
(E,E)-N-[(E)-1-diethoxyphosphoryl-2-(4-nitrophenyl)ethenyl]-3-phenylprop-2-en-1-imine
CID 15449181
[(1E,3E)-2-diethoxyphosphoryl-4-phenylbuta-1,3-dienyl] acetate
CID 11120882
(E,1S)-1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 12543687
4,4-bis[di(propan-2-yloxy)phosphoryl]buta-1,3-dienylbenzene
CID 54046503
[(1E,3Z)-4-ethylsulfanyl-5,5,5-trifluoropenta-1,3-dienyl]benzene
CID 15254375
1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 71366492
ethyl (Z)-2-diethoxyphosphoryl-3-phenylprop-2-enedithioate
CID 101052143
[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene
CID 15103917
[(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene
CID 134853789
ethyl (2Z,4E)-5-phenyl-2-(2,2,2-trifluoroacetyl)penta-2,4-dienoate
CID 11403770

Frequently Asked Questions

What is the IUPAC name of [(1E,3Z)-4-diethoxyphosphoryl-4-fluorobuta-1,3-dienyl]benzene?
The IUPAC name of [(1E,3Z)-4-diethoxyphosphoryl-4-fluorobuta-1,3-dienyl]benzene (CID 135002683) is [(1E,3Z)-4-diethoxyphosphoryl-4-fluorobuta-1,3-dienyl]benzene.
What is the SMILES notation for [(1E,3Z)-4-diethoxyphosphoryl-4-fluorobuta-1,3-dienyl]benzene?
The canonical SMILES for [(1E,3Z)-4-diethoxyphosphoryl-4-fluorobuta-1,3-dienyl]benzene is CCOP(=O)(OCC)/C(F)=C\C=C\c1ccccc1.
What is the InChIKey of [(1E,3Z)-4-diethoxyphosphoryl-4-fluorobuta-1,3-dienyl]benzene?
The InChIKey is ZSJLTADXDQSBNT-FENWIEIGSA-N. The full InChI is InChI=1S/C14H18FO3P/c1-3-17-19(16,18-4-2)14(15)12-8-11-13-9-6-5-7-10-13/h5-12H,3-4H2,1-2H3/b11-8+,14-12-.
What are the key properties of [(1E,3Z)-4-diethoxyphosphoryl-4-fluorobuta-1,3-dienyl]benzene?
[(1E,3Z)-4-diethoxyphosphoryl-4-fluorobuta-1,3-dienyl]benzene has a molecular weight of 284.27 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3Z)-4-diethoxyphosphoryl-4-fluorobuta-1,3-dienyl]benzene is sourced from PubChem (CID 135002683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).