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

C5H10ClO2P — CID 10374860

IUPAC1-[[chloro(dideuterio)methyl]-ethenylphosphoryl]oxyethane
SMILES[2H]C([2H])(Cl)P(=O)(C=C)OCC
InChIInChI=1S/C5H10ClO2P/c1-3-8-9(7,4-2)5-6/h4H,2-3,5H2,1H3/i5D2
InChIKeyNHPGDBDRXZGKIE-BFWBPSQCSA-N
MW170.57 g/mol
LogP2.64
Rot. Bonds4

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

1-[[chloro(dideuterio)methyl]-ethenylphosphoryl]oxyethane (PubChem CID 10374860) has the molecular formula C5H10ClO2P and a molecular weight of 170.57 g/mol. Its IUPAC name is 1-[[chloro(dideuterio)methyl]-ethenylphosphoryl]oxyethane.

Molecular Properties

Compound Name1-[[chloro(dideuterio)methyl]-ethenylphosphoryl]oxyethane
PubChem CID10374860
Molecular FormulaC5H10ClO2P
Molecular Weight170.57 g/mol
Exact Mass170.02
IUPAC Name1-[[chloro(dideuterio)methyl]-ethenylphosphoryl]oxyethane
SMILES[2H]C([2H])(Cl)P(=O)(C=C)OCC
InChIInChI=1S/C5H10ClO2P/c1-3-8-9(7,4-2)5-6/h4H,2-3,5H2,1H3/i5D2
InChIKeyNHPGDBDRXZGKIE-BFWBPSQCSA-N
XLogP2.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.57
LogP ≤ 52.64
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'}

Analyze 1-[[chloro(dideuterio)methyl]-ethenylphosphoryl]oxyethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl vinylphosphonate
CID 69629
Ethyl (chloromethyl)(methyl)phosphinate
CID 10630760
Ethyl ethenylphosphonochloridate
CID 12673186
Phosphinic acid, diethenyl-, ethyl ester
CID 141574
Ethyl ethenyl(methyl)phosphinate
CID 13568491
Methyl(vinyl)phosphinic acid 2-chloroethylester
CID 14512990
1-[Ethenoxy(ethyl)phosphoryl]oxyethane
CID 57300316
Phosphinic acid, ethenylethyl-, propyl ester
CID 144490
Ethyl ethenyl(ethyl)phosphinate
CID 23415794
1-[Chloromethyl(ethenyl)phosphoryl]oxyethane
CID 14973793
1-Chloro-1-[ethoxy(methyl)phosphoryl]ethene
CID 14978789
(Z)-1-chloro-2-diethoxyphosphorylethene
CID 21765863

Frequently Asked Questions

What is the IUPAC name of 1-[[chloro(dideuterio)methyl]-ethenylphosphoryl]oxyethane?
The IUPAC name of 1-[[chloro(dideuterio)methyl]-ethenylphosphoryl]oxyethane (CID 10374860) is 1-[[chloro(dideuterio)methyl]-ethenylphosphoryl]oxyethane.
What is the SMILES notation for 1-[[chloro(dideuterio)methyl]-ethenylphosphoryl]oxyethane?
The canonical SMILES for 1-[[chloro(dideuterio)methyl]-ethenylphosphoryl]oxyethane is [2H]C([2H])(Cl)P(=O)(C=C)OCC.
What is the InChIKey of 1-[[chloro(dideuterio)methyl]-ethenylphosphoryl]oxyethane?
The InChIKey is NHPGDBDRXZGKIE-BFWBPSQCSA-N. The full InChI is InChI=1S/C5H10ClO2P/c1-3-8-9(7,4-2)5-6/h4H,2-3,5H2,1H3/i5D2.
What are the key properties of 1-[[chloro(dideuterio)methyl]-ethenylphosphoryl]oxyethane?
1-[[chloro(dideuterio)methyl]-ethenylphosphoryl]oxyethane has a molecular weight of 170.57 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[chloro(dideuterio)methyl]-ethenylphosphoryl]oxyethane is sourced from PubChem (CID 10374860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).