1-[2-[chloro(fluoro)phosphoryl]oxyethoxy]-2-methoxyethane

C5H11ClFO4P — CID 87753916

IUPAC1-[2-[chloro(fluoro)phosphoryl]oxyethoxy]-2-methoxyethane
SMILESCOCCOCCOP(=O)(F)Cl
InChIInChI=1S/C5H11ClFO4P/c1-9-2-3-10-4-5-11-12(6,7)8/h2-5H2,1H3
InChIKeyREHNGHFWGGOCAX-UHFFFAOYSA-N
MW220.56 g/mol
LogP1.98
Rot. Bonds7

About 1-[2-[chloro(fluoro)phosphoryl]oxyethoxy]-2-methoxyethane

1-[2-[chloro(fluoro)phosphoryl]oxyethoxy]-2-methoxyethane (PubChem CID 87753916) has the molecular formula C5H11ClFO4P and a molecular weight of 220.56 g/mol. Its IUPAC name is 1-[2-[chloro(fluoro)phosphoryl]oxyethoxy]-2-methoxyethane.

Molecular Properties

Compound Name1-[2-[chloro(fluoro)phosphoryl]oxyethoxy]-2-methoxyethane
PubChem CID87753916
Molecular FormulaC5H11ClFO4P
Molecular Weight220.56 g/mol
Exact Mass220.01
IUPAC Name1-[2-[chloro(fluoro)phosphoryl]oxyethoxy]-2-methoxyethane
SMILESCOCCOCCOP(=O)(F)Cl
InChIInChI=1S/C5H11ClFO4P/c1-9-2-3-10-4-5-11-12(6,7)8/h2-5H2,1H3
InChIKeyREHNGHFWGGOCAX-UHFFFAOYSA-N
XLogP1.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.56
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[chloro(fluoro)phosphoryl]oxyethoxy]-2-methoxyethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[chloro(fluoro)phosphoryl]oxyethoxy]-2-methoxyethane?
The IUPAC name of 1-[2-[chloro(fluoro)phosphoryl]oxyethoxy]-2-methoxyethane (CID 87753916) is 1-[2-[chloro(fluoro)phosphoryl]oxyethoxy]-2-methoxyethane.
What is the SMILES notation for 1-[2-[chloro(fluoro)phosphoryl]oxyethoxy]-2-methoxyethane?
The canonical SMILES for 1-[2-[chloro(fluoro)phosphoryl]oxyethoxy]-2-methoxyethane is COCCOCCOP(=O)(F)Cl.
What is the InChIKey of 1-[2-[chloro(fluoro)phosphoryl]oxyethoxy]-2-methoxyethane?
The InChIKey is REHNGHFWGGOCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClFO4P/c1-9-2-3-10-4-5-11-12(6,7)8/h2-5H2,1H3.
What are the key properties of 1-[2-[chloro(fluoro)phosphoryl]oxyethoxy]-2-methoxyethane?
1-[2-[chloro(fluoro)phosphoryl]oxyethoxy]-2-methoxyethane has a molecular weight of 220.56 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[chloro(fluoro)phosphoryl]oxyethoxy]-2-methoxyethane is sourced from PubChem (CID 87753916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).