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

C5H10ClF2O3P — CID 14111271

IUPAC1-[[chloro(difluoro)methyl]-ethoxyphosphoryl]oxyethane
SMILESCCOP(=O)(OCC)C(F)(F)Cl
InChIInChI=1S/C5H10ClF2O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3
InChIKeyKFAHFEGSEBXQOC-UHFFFAOYSA-N
MW222.55 g/mol
LogP3.04
Rot. Bonds5

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

1-[[chloro(difluoro)methyl]-ethoxyphosphoryl]oxyethane (PubChem CID 14111271) has the molecular formula C5H10ClF2O3P and a molecular weight of 222.55 g/mol. Its IUPAC name is 1-[[chloro(difluoro)methyl]-ethoxyphosphoryl]oxyethane.

Molecular Properties

Compound Name1-[[chloro(difluoro)methyl]-ethoxyphosphoryl]oxyethane
PubChem CID14111271
Molecular FormulaC5H10ClF2O3P
Molecular Weight222.55 g/mol
Exact Mass222.00
IUPAC Name1-[[chloro(difluoro)methyl]-ethoxyphosphoryl]oxyethane
SMILESCCOP(=O)(OCC)C(F)(F)Cl
InChIInChI=1S/C5H10ClF2O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3
InChIKeyKFAHFEGSEBXQOC-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.55
LogP ≤ 53.04
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(difluoro)methyl]-ethoxyphosphoryl]oxyethane?
The IUPAC name of 1-[[chloro(difluoro)methyl]-ethoxyphosphoryl]oxyethane (CID 14111271) is 1-[[chloro(difluoro)methyl]-ethoxyphosphoryl]oxyethane.
What is the SMILES notation for 1-[[chloro(difluoro)methyl]-ethoxyphosphoryl]oxyethane?
The canonical SMILES for 1-[[chloro(difluoro)methyl]-ethoxyphosphoryl]oxyethane is CCOP(=O)(OCC)C(F)(F)Cl.
What is the InChIKey of 1-[[chloro(difluoro)methyl]-ethoxyphosphoryl]oxyethane?
The InChIKey is KFAHFEGSEBXQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClF2O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3.
What are the key properties of 1-[[chloro(difluoro)methyl]-ethoxyphosphoryl]oxyethane?
1-[[chloro(difluoro)methyl]-ethoxyphosphoryl]oxyethane has a molecular weight of 222.55 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[chloro(difluoro)methyl]-ethoxyphosphoryl]oxyethane is sourced from PubChem (CID 14111271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).