1-dichlorophosphoryloxy-2-fluoroethane

C2H4Cl2FO2P — CID 54337794

IUPAC1-dichlorophosphoryloxy-2-fluoroethane
SMILESO=P(Cl)(Cl)OCCF
InChIInChI=1S/C2H4Cl2FO2P/c3-8(4,6)7-2-1-5/h1-2H2
InChIKeyTWTDGXUOYAMFLW-UHFFFAOYSA-N
MW180.93 g/mol
LogP2.56
Rot. Bonds3

About 1-dichlorophosphoryloxy-2-fluoroethane

1-dichlorophosphoryloxy-2-fluoroethane (PubChem CID 54337794) has the molecular formula C2H4Cl2FO2P and a molecular weight of 180.93 g/mol. Its IUPAC name is 1-dichlorophosphoryloxy-2-fluoroethane.

Molecular Properties

Compound Name1-dichlorophosphoryloxy-2-fluoroethane
PubChem CID54337794
Molecular FormulaC2H4Cl2FO2P
Molecular Weight180.93 g/mol
Exact Mass179.93
IUPAC Name1-dichlorophosphoryloxy-2-fluoroethane
SMILESO=P(Cl)(Cl)OCCF
InChIInChI=1S/C2H4Cl2FO2P/c3-8(4,6)7-2-1-5/h1-2H2
InChIKeyTWTDGXUOYAMFLW-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.93
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-dichlorophosphoryloxy-2-fluoroethane 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-dichlorophosphoryloxy-2-fluoroethane?
The IUPAC name of 1-dichlorophosphoryloxy-2-fluoroethane (CID 54337794) is 1-dichlorophosphoryloxy-2-fluoroethane.
What is the SMILES notation for 1-dichlorophosphoryloxy-2-fluoroethane?
The canonical SMILES for 1-dichlorophosphoryloxy-2-fluoroethane is O=P(Cl)(Cl)OCCF.
What is the InChIKey of 1-dichlorophosphoryloxy-2-fluoroethane?
The InChIKey is TWTDGXUOYAMFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl2FO2P/c3-8(4,6)7-2-1-5/h1-2H2.
What are the key properties of 1-dichlorophosphoryloxy-2-fluoroethane?
1-dichlorophosphoryloxy-2-fluoroethane has a molecular weight of 180.93 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dichlorophosphoryloxy-2-fluoroethane is sourced from PubChem (CID 54337794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).