1-[[chloro(dideuterio)methyl]-methylphosphoryl]oxyethane

C4H10ClO2P — CID 10057783

IUPAC1-[[chloro(dideuterio)methyl]-methylphosphoryl]oxyethane
SMILES[2H]C([2H])(Cl)P(C)(=O)OCC
InChIInChI=1S/C4H10ClO2P/c1-3-7-8(2,6)4-5/h3-4H2,1-2H3/i4D2
InChIKeyTTXWIKOQNODHCO-APZFVMQVSA-N
MW158.56 g/mol
LogP2.13
Rot. Bonds3

About 1-[[chloro(dideuterio)methyl]-methylphosphoryl]oxyethane

1-[[chloro(dideuterio)methyl]-methylphosphoryl]oxyethane (PubChem CID 10057783) has the molecular formula C4H10ClO2P and a molecular weight of 158.56 g/mol. Its IUPAC name is 1-[[chloro(dideuterio)methyl]-methylphosphoryl]oxyethane.

Molecular Properties

Compound Name1-[[chloro(dideuterio)methyl]-methylphosphoryl]oxyethane
PubChem CID10057783
Molecular FormulaC4H10ClO2P
Molecular Weight158.56 g/mol
Exact Mass158.02
IUPAC Name1-[[chloro(dideuterio)methyl]-methylphosphoryl]oxyethane
SMILES[2H]C([2H])(Cl)P(C)(=O)OCC
InChIInChI=1S/C4H10ClO2P/c1-3-7-8(2,6)4-5/h3-4H2,1-2H3/i4D2
InChIKeyTTXWIKOQNODHCO-APZFVMQVSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.56
LogP ≤ 52.13
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(dideuterio)methyl]-methylphosphoryl]oxyethane?
The IUPAC name of 1-[[chloro(dideuterio)methyl]-methylphosphoryl]oxyethane (CID 10057783) is 1-[[chloro(dideuterio)methyl]-methylphosphoryl]oxyethane.
What is the SMILES notation for 1-[[chloro(dideuterio)methyl]-methylphosphoryl]oxyethane?
The canonical SMILES for 1-[[chloro(dideuterio)methyl]-methylphosphoryl]oxyethane is [2H]C([2H])(Cl)P(C)(=O)OCC.
What is the InChIKey of 1-[[chloro(dideuterio)methyl]-methylphosphoryl]oxyethane?
The InChIKey is TTXWIKOQNODHCO-APZFVMQVSA-N. The full InChI is InChI=1S/C4H10ClO2P/c1-3-7-8(2,6)4-5/h3-4H2,1-2H3/i4D2.
What are the key properties of 1-[[chloro(dideuterio)methyl]-methylphosphoryl]oxyethane?
1-[[chloro(dideuterio)methyl]-methylphosphoryl]oxyethane has a molecular weight of 158.56 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[chloro(dideuterio)methyl]-methylphosphoryl]oxyethane is sourced from PubChem (CID 10057783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).