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

C12H24FO3P — CID 100929330

IUPAC(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
SMILESCCCCC/C=C\C(F)P(=O)(OCC)OCC
InChIInChI=1S/C12H24FO3P/c1-4-7-8-9-10-11-12(13)17(14,15-5-2)16-6-3/h10-12H,4-9H2,1-3H3/b11-10-
InChIKeyGILHZEXSIIKOOW-KHPPLWFESA-N
MW266.29 g/mol
LogP4.68
Rot. Bonds10

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

(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene (PubChem CID 100929330) has the molecular formula C12H24FO3P and a molecular weight of 266.29 g/mol. Its IUPAC name is (Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene.

Molecular Properties

Compound Name(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
PubChem CID100929330
Molecular FormulaC12H24FO3P
Molecular Weight266.29 g/mol
Exact Mass266.14
IUPAC Name(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
SMILESCCCCC/C=C\C(F)P(=O)(OCC)OCC
InChIInChI=1S/C12H24FO3P/c1-4-7-8-9-10-11-12(13)17(14,15-5-2)16-6-3/h10-12H,4-9H2,1-3H3/b11-10-
InChIKeyGILHZEXSIIKOOW-KHPPLWFESA-N
XLogP4.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-fluorooct-2-ene?
The IUPAC name of (Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene (CID 100929330) is (Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene.
What is the SMILES notation for (Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene?
The canonical SMILES for (Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene is CCCCC/C=C\C(F)P(=O)(OCC)OCC.
What is the InChIKey of (Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene?
The InChIKey is GILHZEXSIIKOOW-KHPPLWFESA-N. The full InChI is InChI=1S/C12H24FO3P/c1-4-7-8-9-10-11-12(13)17(14,15-5-2)16-6-3/h10-12H,4-9H2,1-3H3/b11-10-.
What are the key properties of (Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene?
(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene has a molecular weight of 266.29 g/mol, XLogP of 4.68, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene is sourced from PubChem (CID 100929330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).