(Z)-1-diethoxyphosphoryl-1-fluorobut-2-ene

C8H16FO3P — CID 11042014

IUPAC(Z)-1-diethoxyphosphoryl-1-fluorobut-2-ene
SMILESC/C=C\C(F)P(=O)(OCC)OCC
InChIInChI=1S/C8H16FO3P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h4,7-8H,5-6H2,1-3H3/b7-4-
InChIKeyFCKXMNVEUBWZCJ-DAXSKMNVSA-N
MW210.18 g/mol
LogP3.12
Rot. Bonds6

About (Z)-1-diethoxyphosphoryl-1-fluorobut-2-ene

(Z)-1-diethoxyphosphoryl-1-fluorobut-2-ene (PubChem CID 11042014) has the molecular formula C8H16FO3P and a molecular weight of 210.18 g/mol. Its IUPAC name is (Z)-1-diethoxyphosphoryl-1-fluorobut-2-ene.

Molecular Properties

Compound Name(Z)-1-diethoxyphosphoryl-1-fluorobut-2-ene
PubChem CID11042014
Molecular FormulaC8H16FO3P
Molecular Weight210.18 g/mol
Exact Mass210.08
IUPAC Name(Z)-1-diethoxyphosphoryl-1-fluorobut-2-ene
SMILESC/C=C\C(F)P(=O)(OCC)OCC
InChIInChI=1S/C8H16FO3P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h4,7-8H,5-6H2,1-3H3/b7-4-
InChIKeyFCKXMNVEUBWZCJ-DAXSKMNVSA-N
XLogP3.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-diethoxyphosphoryl-1-fluorobut-2-ene?
The IUPAC name of (Z)-1-diethoxyphosphoryl-1-fluorobut-2-ene (CID 11042014) is (Z)-1-diethoxyphosphoryl-1-fluorobut-2-ene.
What is the SMILES notation for (Z)-1-diethoxyphosphoryl-1-fluorobut-2-ene?
The canonical SMILES for (Z)-1-diethoxyphosphoryl-1-fluorobut-2-ene is C/C=C\C(F)P(=O)(OCC)OCC.
What is the InChIKey of (Z)-1-diethoxyphosphoryl-1-fluorobut-2-ene?
The InChIKey is FCKXMNVEUBWZCJ-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H16FO3P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h4,7-8H,5-6H2,1-3H3/b7-4-.
What are the key properties of (Z)-1-diethoxyphosphoryl-1-fluorobut-2-ene?
(Z)-1-diethoxyphosphoryl-1-fluorobut-2-ene has a molecular weight of 210.18 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-diethoxyphosphoryl-1-fluorobut-2-ene is sourced from PubChem (CID 11042014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).