1-[[chloro(fluoro)methyl]-ethoxyphosphoryl]oxyethane

C5H11ClFO3P — CID 6452914

IUPAC1-[[chloro(fluoro)methyl]-ethoxyphosphoryl]oxyethane
SMILESCCOP(=O)(OCC)C(F)Cl
InChIInChI=1S/C5H11ClFO3P/c1-3-9-11(8,5(6)7)10-4-2/h5H,3-4H2,1-2H3
InChIKeyGNCLFEUUNNCFRP-UHFFFAOYSA-N
MW204.56 g/mol
LogP2.74
Rot. Bonds5

About 1-[[chloro(fluoro)methyl]-ethoxyphosphoryl]oxyethane

1-[[chloro(fluoro)methyl]-ethoxyphosphoryl]oxyethane (PubChem CID 6452914) has the molecular formula C5H11ClFO3P and a molecular weight of 204.56 g/mol. Its IUPAC name is 1-[[chloro(fluoro)methyl]-ethoxyphosphoryl]oxyethane.

Molecular Properties

Compound Name1-[[chloro(fluoro)methyl]-ethoxyphosphoryl]oxyethane
PubChem CID6452914
Molecular FormulaC5H11ClFO3P
Molecular Weight204.56 g/mol
Exact Mass204.01
IUPAC Name1-[[chloro(fluoro)methyl]-ethoxyphosphoryl]oxyethane
SMILESCCOP(=O)(OCC)C(F)Cl
InChIInChI=1S/C5H11ClFO3P/c1-3-9-11(8,5(6)7)10-4-2/h5H,3-4H2,1-2H3
InChIKeyGNCLFEUUNNCFRP-UHFFFAOYSA-N
XLogP2.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.56
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[chloro(fluoro)methyl]-ethoxyphosphoryl]oxyethane?
The IUPAC name of 1-[[chloro(fluoro)methyl]-ethoxyphosphoryl]oxyethane (CID 6452914) is 1-[[chloro(fluoro)methyl]-ethoxyphosphoryl]oxyethane.
What is the SMILES notation for 1-[[chloro(fluoro)methyl]-ethoxyphosphoryl]oxyethane?
The canonical SMILES for 1-[[chloro(fluoro)methyl]-ethoxyphosphoryl]oxyethane is CCOP(=O)(OCC)C(F)Cl.
What is the InChIKey of 1-[[chloro(fluoro)methyl]-ethoxyphosphoryl]oxyethane?
The InChIKey is GNCLFEUUNNCFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClFO3P/c1-3-9-11(8,5(6)7)10-4-2/h5H,3-4H2,1-2H3.
What are the key properties of 1-[[chloro(fluoro)methyl]-ethoxyphosphoryl]oxyethane?
1-[[chloro(fluoro)methyl]-ethoxyphosphoryl]oxyethane has a molecular weight of 204.56 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[chloro(fluoro)methyl]-ethoxyphosphoryl]oxyethane is sourced from PubChem (CID 6452914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).