4-diethoxyphosphoryl-4-fluorohex-2-yne

C10H18FO3P — CID 10776164

IUPAC4-diethoxyphosphoryl-4-fluorohex-2-yne
SMILESCC#CC(F)(CC)P(=O)(OCC)OCC
InChIInChI=1S/C10H18FO3P/c1-5-9-10(11,6-2)15(12,13-7-3)14-8-4/h6-8H2,1-4H3
InChIKeyWNPUHKVEJOWGKR-UHFFFAOYSA-N
MW236.22 g/mol
LogP3.35
Rot. Bonds6

About 4-diethoxyphosphoryl-4-fluorohex-2-yne

4-diethoxyphosphoryl-4-fluorohex-2-yne (PubChem CID 10776164) has the molecular formula C10H18FO3P and a molecular weight of 236.22 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-4-fluorohex-2-yne.

Molecular Properties

Compound Name4-diethoxyphosphoryl-4-fluorohex-2-yne
PubChem CID10776164
Molecular FormulaC10H18FO3P
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC Name4-diethoxyphosphoryl-4-fluorohex-2-yne
SMILESCC#CC(F)(CC)P(=O)(OCC)OCC
InChIInChI=1S/C10H18FO3P/c1-5-9-10(11,6-2)15(12,13-7-3)14-8-4/h6-8H2,1-4H3
InChIKeyWNPUHKVEJOWGKR-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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 4-diethoxyphosphoryl-4-fluorohex-2-yne?
The IUPAC name of 4-diethoxyphosphoryl-4-fluorohex-2-yne (CID 10776164) is 4-diethoxyphosphoryl-4-fluorohex-2-yne.
What is the SMILES notation for 4-diethoxyphosphoryl-4-fluorohex-2-yne?
The canonical SMILES for 4-diethoxyphosphoryl-4-fluorohex-2-yne is CC#CC(F)(CC)P(=O)(OCC)OCC.
What is the InChIKey of 4-diethoxyphosphoryl-4-fluorohex-2-yne?
The InChIKey is WNPUHKVEJOWGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FO3P/c1-5-9-10(11,6-2)15(12,13-7-3)14-8-4/h6-8H2,1-4H3.
What are the key properties of 4-diethoxyphosphoryl-4-fluorohex-2-yne?
4-diethoxyphosphoryl-4-fluorohex-2-yne has a molecular weight of 236.22 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-4-fluorohex-2-yne is sourced from PubChem (CID 10776164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).