1-[ethoxy(fluoro)phosphoryl]propane

C5H12FO2P — CID 581414

IUPAC1-[ethoxy(fluoro)phosphoryl]propane
SMILESCCCP(=O)(F)OCC
InChIInChI=1S/C5H12FO2P/c1-3-5-9(6,7)8-4-2/h3-5H2,1-2H3
InChIKeyHUPKZEYEZVDDEO-UHFFFAOYSA-N
MW154.12 g/mol
LogP2.60
Rot. Bonds4

About 1-[ethoxy(fluoro)phosphoryl]propane

1-[ethoxy(fluoro)phosphoryl]propane (PubChem CID 581414) has the molecular formula C5H12FO2P and a molecular weight of 154.12 g/mol. Its IUPAC name is 1-[ethoxy(fluoro)phosphoryl]propane.

Molecular Properties

Compound Name1-[ethoxy(fluoro)phosphoryl]propane
PubChem CID581414
Molecular FormulaC5H12FO2P
Molecular Weight154.12 g/mol
Exact Mass154.06
IUPAC Name1-[ethoxy(fluoro)phosphoryl]propane
SMILESCCCP(=O)(F)OCC
InChIInChI=1S/C5H12FO2P/c1-3-5-9(6,7)8-4-2/h3-5H2,1-2H3
InChIKeyHUPKZEYEZVDDEO-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[ethoxy(fluoro)phosphoryl]propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diisopropyl Fluorophosphate
CID 5936
Sarin
CID 7871
Diethyl ethylphosphonate
CID 6534
Ethylsarin
CID 65566
Ethyl methyl ethylphosphonate
CID 79183
Diethyl fluorophosphate
CID 67752
Diethyl propylphosphonate
CID 140428
Diethyl (propan-2-yl)phosphonate
CID 586633
Ethyl hydrogen 1-propylphosphonate
CID 30858
Ethyl methylphosphonofluoridate
CID 160541
Pentyl methylphosphonofluoridate
CID 518769
Propyl Ethylphosphonofluoridate
CID 520458

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(fluoro)phosphoryl]propane?
The IUPAC name of 1-[ethoxy(fluoro)phosphoryl]propane (CID 581414) is 1-[ethoxy(fluoro)phosphoryl]propane.
What is the SMILES notation for 1-[ethoxy(fluoro)phosphoryl]propane?
The canonical SMILES for 1-[ethoxy(fluoro)phosphoryl]propane is CCCP(=O)(F)OCC.
What is the InChIKey of 1-[ethoxy(fluoro)phosphoryl]propane?
The InChIKey is HUPKZEYEZVDDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FO2P/c1-3-5-9(6,7)8-4-2/h3-5H2,1-2H3.
What are the key properties of 1-[ethoxy(fluoro)phosphoryl]propane?
1-[ethoxy(fluoro)phosphoryl]propane has a molecular weight of 154.12 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(fluoro)phosphoryl]propane is sourced from PubChem (CID 581414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).