2-chloro-N-dichlorophosphoryl-N-ethyl-2-fluoroethanamine

C4H8Cl3FNOP — CID 122236880

IUPAC2-chloro-N-dichlorophosphoryl-N-ethyl-2-fluoroethanamine
SMILESCCN(CC(F)Cl)P(=O)(Cl)Cl
InChIInChI=1S/C4H8Cl3FNOP/c1-2-9(3-4(5)8)11(6,7)10/h4H,2-3H2,1H3
InChIKeyJDSGNAILEYZNEJ-UHFFFAOYSA-N
MW242.44 g/mol
LogP3.43
Rot. Bonds4

About 2-chloro-N-dichlorophosphoryl-N-ethyl-2-fluoroethanamine

2-chloro-N-dichlorophosphoryl-N-ethyl-2-fluoroethanamine (PubChem CID 122236880) has the molecular formula C4H8Cl3FNOP and a molecular weight of 242.44 g/mol. Its IUPAC name is 2-chloro-N-dichlorophosphoryl-N-ethyl-2-fluoroethanamine.

Molecular Properties

Compound Name2-chloro-N-dichlorophosphoryl-N-ethyl-2-fluoroethanamine
PubChem CID122236880
Molecular FormulaC4H8Cl3FNOP
Molecular Weight242.44 g/mol
Exact Mass240.94
IUPAC Name2-chloro-N-dichlorophosphoryl-N-ethyl-2-fluoroethanamine
SMILESCCN(CC(F)Cl)P(=O)(Cl)Cl
InChIInChI=1S/C4H8Cl3FNOP/c1-2-9(3-4(5)8)11(6,7)10/h4H,2-3H2,1H3
InChIKeyJDSGNAILEYZNEJ-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.44
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-chloro-N-dichlorophosphoryl-N-ethyl-2-fluoroethanamine?
The IUPAC name of 2-chloro-N-dichlorophosphoryl-N-ethyl-2-fluoroethanamine (CID 122236880) is 2-chloro-N-dichlorophosphoryl-N-ethyl-2-fluoroethanamine.
What is the SMILES notation for 2-chloro-N-dichlorophosphoryl-N-ethyl-2-fluoroethanamine?
The canonical SMILES for 2-chloro-N-dichlorophosphoryl-N-ethyl-2-fluoroethanamine is CCN(CC(F)Cl)P(=O)(Cl)Cl.
What is the InChIKey of 2-chloro-N-dichlorophosphoryl-N-ethyl-2-fluoroethanamine?
The InChIKey is JDSGNAILEYZNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl3FNOP/c1-2-9(3-4(5)8)11(6,7)10/h4H,2-3H2,1H3.
What are the key properties of 2-chloro-N-dichlorophosphoryl-N-ethyl-2-fluoroethanamine?
2-chloro-N-dichlorophosphoryl-N-ethyl-2-fluoroethanamine has a molecular weight of 242.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-dichlorophosphoryl-N-ethyl-2-fluoroethanamine is sourced from PubChem (CID 122236880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).