1-chloro-1-diethoxyphosphorylethane

C6H14ClO3P — CID 11830457

IUPAC1-chloro-1-diethoxyphosphorylethane
SMILESCCOP(=O)(OCC)C(C)Cl
InChIInChI=1S/C6H14ClO3P/c1-4-9-11(8,6(3)7)10-5-2/h6H,4-5H2,1-3H3
InChIKeyHNKWDFZLWKGOGI-UHFFFAOYSA-N
MW200.60 g/mol
LogP2.84
Rot. Bonds5

About 1-chloro-1-diethoxyphosphorylethane

1-chloro-1-diethoxyphosphorylethane (PubChem CID 11830457) has the molecular formula C6H14ClO3P and a molecular weight of 200.60 g/mol. Its IUPAC name is 1-chloro-1-diethoxyphosphorylethane.

Molecular Properties

Compound Name1-chloro-1-diethoxyphosphorylethane
PubChem CID11830457
Molecular FormulaC6H14ClO3P
Molecular Weight200.60 g/mol
Exact Mass200.04
IUPAC Name1-chloro-1-diethoxyphosphorylethane
SMILESCCOP(=O)(OCC)C(C)Cl
InChIInChI=1S/C6H14ClO3P/c1-4-9-11(8,6(3)7)10-5-2/h6H,4-5H2,1-3H3
InChIKeyHNKWDFZLWKGOGI-UHFFFAOYSA-N
XLogP2.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.60
LogP ≤ 52.84
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-1-diethoxyphosphorylethane?
The IUPAC name of 1-chloro-1-diethoxyphosphorylethane (CID 11830457) is 1-chloro-1-diethoxyphosphorylethane.
What is the SMILES notation for 1-chloro-1-diethoxyphosphorylethane?
The canonical SMILES for 1-chloro-1-diethoxyphosphorylethane is CCOP(=O)(OCC)C(C)Cl.
What is the InChIKey of 1-chloro-1-diethoxyphosphorylethane?
The InChIKey is HNKWDFZLWKGOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClO3P/c1-4-9-11(8,6(3)7)10-5-2/h6H,4-5H2,1-3H3.
What are the key properties of 1-chloro-1-diethoxyphosphorylethane?
1-chloro-1-diethoxyphosphorylethane has a molecular weight of 200.60 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-diethoxyphosphorylethane is sourced from PubChem (CID 11830457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).