(E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene

C9H18FO3P — CID 134933674

IUPAC(E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene
SMILESCCOP(=O)(/C=C/C(C)(C)F)OCC
InChIInChI=1S/C9H18FO3P/c1-5-12-14(11,13-6-2)8-7-9(3,4)10/h7-8H,5-6H2,1-4H3/b8-7+
InChIKeyHGOFHJMFZHTTPR-BQYQJAHWSA-N
MW224.21 g/mol
LogP3.51
Rot. Bonds6

About (E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene

(E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene (PubChem CID 134933674) has the molecular formula C9H18FO3P and a molecular weight of 224.21 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene
PubChem CID134933674
Molecular FormulaC9H18FO3P
Molecular Weight224.21 g/mol
Exact Mass224.10
IUPAC Name(E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene
SMILESCCOP(=O)(/C=C/C(C)(C)F)OCC
InChIInChI=1S/C9H18FO3P/c1-5-12-14(11,13-6-2)8-7-9(3,4)10/h7-8H,5-6H2,1-4H3/b8-7+
InChIKeyHGOFHJMFZHTTPR-BQYQJAHWSA-N
XLogP3.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene (CID 134933674) is (E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene is CCOP(=O)(/C=C/C(C)(C)F)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene?
The InChIKey is HGOFHJMFZHTTPR-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H18FO3P/c1-5-12-14(11,13-6-2)8-7-9(3,4)10/h7-8H,5-6H2,1-4H3/b8-7+.
What are the key properties of (E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene?
(E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene has a molecular weight of 224.21 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene is sourced from PubChem (CID 134933674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).