1-chloro-2-dichlorophosphoryloxyethane

C2H4Cl3O2P — CID 548448

IUPAC1-chloro-2-dichlorophosphoryloxyethane
SMILESO=P(Cl)(Cl)OCCCl
InChIInChI=1S/C2H4Cl3O2P/c3-1-2-7-8(4,5)6/h1-2H2
InChIKeyYRTAUZXAHQPFJV-UHFFFAOYSA-N
MW197.38 g/mol
LogP2.83
Rot. Bonds3

About 1-chloro-2-dichlorophosphoryloxyethane

1-chloro-2-dichlorophosphoryloxyethane (PubChem CID 548448) has the molecular formula C2H4Cl3O2P and a molecular weight of 197.38 g/mol. Its IUPAC name is 1-chloro-2-dichlorophosphoryloxyethane.

Molecular Properties

Compound Name1-chloro-2-dichlorophosphoryloxyethane
PubChem CID548448
Molecular FormulaC2H4Cl3O2P
Molecular Weight197.38 g/mol
Exact Mass195.90
IUPAC Name1-chloro-2-dichlorophosphoryloxyethane
SMILESO=P(Cl)(Cl)OCCCl
InChIInChI=1S/C2H4Cl3O2P/c3-1-2-7-8(4,5)6/h1-2H2
InChIKeyYRTAUZXAHQPFJV-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-2-dichlorophosphoryloxyethane?
The IUPAC name of 1-chloro-2-dichlorophosphoryloxyethane (CID 548448) is 1-chloro-2-dichlorophosphoryloxyethane.
What is the SMILES notation for 1-chloro-2-dichlorophosphoryloxyethane?
The canonical SMILES for 1-chloro-2-dichlorophosphoryloxyethane is O=P(Cl)(Cl)OCCCl.
What is the InChIKey of 1-chloro-2-dichlorophosphoryloxyethane?
The InChIKey is YRTAUZXAHQPFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl3O2P/c3-1-2-7-8(4,5)6/h1-2H2.
What are the key properties of 1-chloro-2-dichlorophosphoryloxyethane?
1-chloro-2-dichlorophosphoryloxyethane has a molecular weight of 197.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-dichlorophosphoryloxyethane is sourced from PubChem (CID 548448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).