1,2-dichloroethyl dihydrogen phosphite

C2H5Cl2O3P — CID 57144706

IUPAC1,2-dichloroethyl dihydrogen phosphite
SMILESOP(O)OC(Cl)CCl
InChIInChI=1S/C2H5Cl2O3P/c3-1-2(4)7-8(5)6/h2,5-6H,1H2
InChIKeyOSIKRCMGPRNKDT-UHFFFAOYSA-N
MW178.94 g/mol
LogP1.02
Rot. Bonds3

About 1,2-dichloroethyl dihydrogen phosphite

1,2-dichloroethyl dihydrogen phosphite (PubChem CID 57144706) has the molecular formula C2H5Cl2O3P and a molecular weight of 178.94 g/mol. Its IUPAC name is 1,2-dichloroethyl dihydrogen phosphite.

Molecular Properties

Compound Name1,2-dichloroethyl dihydrogen phosphite
PubChem CID57144706
Molecular FormulaC2H5Cl2O3P
Molecular Weight178.94 g/mol
Exact Mass177.94
IUPAC Name1,2-dichloroethyl dihydrogen phosphite
SMILESOP(O)OC(Cl)CCl
InChIInChI=1S/C2H5Cl2O3P/c3-1-2(4)7-8(5)6/h2,5-6H,1H2
InChIKeyOSIKRCMGPRNKDT-UHFFFAOYSA-N
XLogP1.02
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.94
LogP ≤ 51.02
H-Bond Donors ≤ 52
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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Related Compounds

1,2-dichloroethoxyalumane
CID 173200961
diethoxymethyl dihydrogen phosphite
CID 18623123
alumane;1,2-dichloroethanol
CID 174606739
1,2-dichloroethyl dihydrogen phosphate;dihydrochloride
CID 172720576
1,2,3,4-tetrachlorobutane
CID 155672172
1-methoxyethyl dihydrogen phosphite
CID 87851889
bromomethyl dihydrogen phosphite
CID 151002101
bis(2,3-dichloropropanoate);mercury(2+)
CID 22603891
(3-chloro-2-hydroxypropyl) hydroxy hydrogen phosphite
CID 59937036
1-(1,2-dichloroethoxy)ethyl acetate
CID 19766036
1,2,3-trichloropropane;hydrate
CID 172556253
(2-chloro-1-hydroxyethoxy)methyl-oxidooxyphosphinous acid
CID 21362392

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloroethyl dihydrogen phosphite?
The IUPAC name of 1,2-dichloroethyl dihydrogen phosphite (CID 57144706) is 1,2-dichloroethyl dihydrogen phosphite.
What is the SMILES notation for 1,2-dichloroethyl dihydrogen phosphite?
The canonical SMILES for 1,2-dichloroethyl dihydrogen phosphite is OP(O)OC(Cl)CCl.
What is the InChIKey of 1,2-dichloroethyl dihydrogen phosphite?
The InChIKey is OSIKRCMGPRNKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Cl2O3P/c3-1-2(4)7-8(5)6/h2,5-6H,1H2.
What are the key properties of 1,2-dichloroethyl dihydrogen phosphite?
1,2-dichloroethyl dihydrogen phosphite has a molecular weight of 178.94 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloroethyl dihydrogen phosphite is sourced from PubChem (CID 57144706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).