2-diethoxyphosphoryl-2-fluorohex-3-yne

C10H18FO3P — CID 10776165

IUPAC2-diethoxyphosphoryl-2-fluorohex-3-yne
SMILESCCC#CC(C)(F)P(=O)(OCC)OCC
InChIInChI=1S/C10H18FO3P/c1-5-8-9-10(4,11)15(12,13-6-2)14-7-3/h5-7H2,1-4H3
InChIKeyPPGOABOYURCBMA-UHFFFAOYSA-N
MW236.22 g/mol
LogP3.35
Rot. Bonds5

About 2-diethoxyphosphoryl-2-fluorohex-3-yne

2-diethoxyphosphoryl-2-fluorohex-3-yne (PubChem CID 10776165) has the molecular formula C10H18FO3P and a molecular weight of 236.22 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-2-fluorohex-3-yne.

Molecular Properties

Compound Name2-diethoxyphosphoryl-2-fluorohex-3-yne
PubChem CID10776165
Molecular FormulaC10H18FO3P
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC Name2-diethoxyphosphoryl-2-fluorohex-3-yne
SMILESCCC#CC(C)(F)P(=O)(OCC)OCC
InChIInChI=1S/C10H18FO3P/c1-5-8-9-10(4,11)15(12,13-6-2)14-7-3/h5-7H2,1-4H3
InChIKeyPPGOABOYURCBMA-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-2-fluorohex-3-yne?
The IUPAC name of 2-diethoxyphosphoryl-2-fluorohex-3-yne (CID 10776165) is 2-diethoxyphosphoryl-2-fluorohex-3-yne.
What is the SMILES notation for 2-diethoxyphosphoryl-2-fluorohex-3-yne?
The canonical SMILES for 2-diethoxyphosphoryl-2-fluorohex-3-yne is CCC#CC(C)(F)P(=O)(OCC)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-2-fluorohex-3-yne?
The InChIKey is PPGOABOYURCBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FO3P/c1-5-8-9-10(4,11)15(12,13-6-2)14-7-3/h5-7H2,1-4H3.
What are the key properties of 2-diethoxyphosphoryl-2-fluorohex-3-yne?
2-diethoxyphosphoryl-2-fluorohex-3-yne has a molecular weight of 236.22 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-2-fluorohex-3-yne is sourced from PubChem (CID 10776165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).