3-[2-[2-[2-[ethoxy(fluoro)phosphoryl]ethoxy]ethoxy]ethoxy]prop-1-yne

C11H20FO5P — CID 102126688

IUPAC3-[2-[2-[2-[ethoxy(fluoro)phosphoryl]ethoxy]ethoxy]ethoxy]prop-1-yne
SMILESC#CCOCCOCCOCCP(=O)(F)OCC
InChIInChI=1S/C11H20FO5P/c1-3-5-14-6-7-15-8-9-16-10-11-18(12,13)17-4-2/h1H,4-11H2,2H3
InChIKeyCCLBQIWQZUSZSL-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.87
Rot. Bonds12

About 3-[2-[2-[2-[ethoxy(fluoro)phosphoryl]ethoxy]ethoxy]ethoxy]prop-1-yne

3-[2-[2-[2-[ethoxy(fluoro)phosphoryl]ethoxy]ethoxy]ethoxy]prop-1-yne (PubChem CID 102126688) has the molecular formula C11H20FO5P and a molecular weight of 282.25 g/mol. Its IUPAC name is 3-[2-[2-[2-[ethoxy(fluoro)phosphoryl]ethoxy]ethoxy]ethoxy]prop-1-yne.

Molecular Properties

Compound Name3-[2-[2-[2-[ethoxy(fluoro)phosphoryl]ethoxy]ethoxy]ethoxy]prop-1-yne
PubChem CID102126688
Molecular FormulaC11H20FO5P
Molecular Weight282.25 g/mol
Exact Mass282.10
IUPAC Name3-[2-[2-[2-[ethoxy(fluoro)phosphoryl]ethoxy]ethoxy]ethoxy]prop-1-yne
SMILESC#CCOCCOCCOCCP(=O)(F)OCC
InChIInChI=1S/C11H20FO5P/c1-3-5-14-6-7-15-8-9-16-10-11-18(12,13)17-4-2/h1H,4-11H2,2H3
InChIKeyCCLBQIWQZUSZSL-UHFFFAOYSA-N
XLogP1.87
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-[2-[2-[2-[ethoxy(fluoro)phosphoryl]ethoxy]ethoxy]ethoxy]prop-1-yne?
The IUPAC name of 3-[2-[2-[2-[ethoxy(fluoro)phosphoryl]ethoxy]ethoxy]ethoxy]prop-1-yne (CID 102126688) is 3-[2-[2-[2-[ethoxy(fluoro)phosphoryl]ethoxy]ethoxy]ethoxy]prop-1-yne.
What is the SMILES notation for 3-[2-[2-[2-[ethoxy(fluoro)phosphoryl]ethoxy]ethoxy]ethoxy]prop-1-yne?
The canonical SMILES for 3-[2-[2-[2-[ethoxy(fluoro)phosphoryl]ethoxy]ethoxy]ethoxy]prop-1-yne is C#CCOCCOCCOCCP(=O)(F)OCC.
What is the InChIKey of 3-[2-[2-[2-[ethoxy(fluoro)phosphoryl]ethoxy]ethoxy]ethoxy]prop-1-yne?
The InChIKey is CCLBQIWQZUSZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FO5P/c1-3-5-14-6-7-15-8-9-16-10-11-18(12,13)17-4-2/h1H,4-11H2,2H3.
What are the key properties of 3-[2-[2-[2-[ethoxy(fluoro)phosphoryl]ethoxy]ethoxy]ethoxy]prop-1-yne?
3-[2-[2-[2-[ethoxy(fluoro)phosphoryl]ethoxy]ethoxy]ethoxy]prop-1-yne has a molecular weight of 282.25 g/mol, XLogP of 1.87, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[ethoxy(fluoro)phosphoryl]ethoxy]ethoxy]ethoxy]prop-1-yne is sourced from PubChem (CID 102126688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).