(1E)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene

C8H14FO3P — CID 135080968

IUPAC(1E)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene
SMILESC=C/C=C(\F)P(=O)(OCC)OCC
InChIInChI=1S/C8H14FO3P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h4,7H,1,5-6H2,2-3H3/b8-7+
InChIKeyQJPYZNMQFIGGGL-BQYQJAHWSA-N
MW208.17 g/mol
LogP3.25
Rot. Bonds6

About (1E)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene

(1E)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene (PubChem CID 135080968) has the molecular formula C8H14FO3P and a molecular weight of 208.17 g/mol. Its IUPAC name is (1E)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene.

Molecular Properties

Compound Name(1E)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene
PubChem CID135080968
Molecular FormulaC8H14FO3P
Molecular Weight208.17 g/mol
Exact Mass208.07
IUPAC Name(1E)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene
SMILESC=C/C=C(\F)P(=O)(OCC)OCC
InChIInChI=1S/C8H14FO3P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h4,7H,1,5-6H2,2-3H3/b8-7+
InChIKeyQJPYZNMQFIGGGL-BQYQJAHWSA-N
XLogP3.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 53.25
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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Frequently Asked Questions

What is the IUPAC name of (1E)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene?
The IUPAC name of (1E)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene (CID 135080968) is (1E)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene.
What is the SMILES notation for (1E)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene?
The canonical SMILES for (1E)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene is C=C/C=C(\F)P(=O)(OCC)OCC.
What is the InChIKey of (1E)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene?
The InChIKey is QJPYZNMQFIGGGL-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H14FO3P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h4,7H,1,5-6H2,2-3H3/b8-7+.
What are the key properties of (1E)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene?
(1E)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene has a molecular weight of 208.17 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene is sourced from PubChem (CID 135080968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).