1-[[ethoxy(fluoro)phosphoryl]methoxy]ethane

C5H12FO3P — CID 12585491

IUPAC1-[[ethoxy(fluoro)phosphoryl]methoxy]ethane
SMILESCCOCP(=O)(F)OCC
InChIInChI=1S/C5H12FO3P/c1-3-8-5-10(6,7)9-4-2/h3-5H2,1-2H3
InChIKeyOFXKQMLIUSZCDK-UHFFFAOYSA-N
MW170.12 g/mol
LogP2.18
Rot. Bonds5

About 1-[[ethoxy(fluoro)phosphoryl]methoxy]ethane

1-[[ethoxy(fluoro)phosphoryl]methoxy]ethane (PubChem CID 12585491) has the molecular formula C5H12FO3P and a molecular weight of 170.12 g/mol. Its IUPAC name is 1-[[ethoxy(fluoro)phosphoryl]methoxy]ethane.

Molecular Properties

Compound Name1-[[ethoxy(fluoro)phosphoryl]methoxy]ethane
PubChem CID12585491
Molecular FormulaC5H12FO3P
Molecular Weight170.12 g/mol
Exact Mass170.05
IUPAC Name1-[[ethoxy(fluoro)phosphoryl]methoxy]ethane
SMILESCCOCP(=O)(F)OCC
InChIInChI=1S/C5H12FO3P/c1-3-8-5-10(6,7)9-4-2/h3-5H2,1-2H3
InChIKeyOFXKQMLIUSZCDK-UHFFFAOYSA-N
XLogP2.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 52.18
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 1-[[ethoxy(fluoro)phosphoryl]methoxy]ethane?
The IUPAC name of 1-[[ethoxy(fluoro)phosphoryl]methoxy]ethane (CID 12585491) is 1-[[ethoxy(fluoro)phosphoryl]methoxy]ethane.
What is the SMILES notation for 1-[[ethoxy(fluoro)phosphoryl]methoxy]ethane?
The canonical SMILES for 1-[[ethoxy(fluoro)phosphoryl]methoxy]ethane is CCOCP(=O)(F)OCC.
What is the InChIKey of 1-[[ethoxy(fluoro)phosphoryl]methoxy]ethane?
The InChIKey is OFXKQMLIUSZCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FO3P/c1-3-8-5-10(6,7)9-4-2/h3-5H2,1-2H3.
What are the key properties of 1-[[ethoxy(fluoro)phosphoryl]methoxy]ethane?
1-[[ethoxy(fluoro)phosphoryl]methoxy]ethane has a molecular weight of 170.12 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[ethoxy(fluoro)phosphoryl]methoxy]ethane is sourced from PubChem (CID 12585491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).