1,1-dichloro-1-(dihydroxyamino)oxyethane

C2H5Cl2NO3 — CID 88562534

IUPAC1,1-dichloro-1-(dihydroxyamino)oxyethane
SMILESCC(Cl)(Cl)ON(O)O
InChIInChI=1S/C2H5Cl2NO3/c1-2(3,4)8-5(6)7/h6-7H,1H3
InChIKeyGMRQWBKMNGELQO-UHFFFAOYSA-N
MW161.97 g/mol
LogP1.15
Rot. Bonds2

About 1,1-dichloro-1-(dihydroxyamino)oxyethane

1,1-dichloro-1-(dihydroxyamino)oxyethane (PubChem CID 88562534) has the molecular formula C2H5Cl2NO3 and a molecular weight of 161.97 g/mol. Its IUPAC name is 1,1-dichloro-1-(dihydroxyamino)oxyethane.

Molecular Properties

Compound Name1,1-dichloro-1-(dihydroxyamino)oxyethane
PubChem CID88562534
Molecular FormulaC2H5Cl2NO3
Molecular Weight161.97 g/mol
Exact Mass160.96
IUPAC Name1,1-dichloro-1-(dihydroxyamino)oxyethane
SMILESCC(Cl)(Cl)ON(O)O
InChIInChI=1S/C2H5Cl2NO3/c1-2(3,4)8-5(6)7/h6-7H,1H3
InChIKeyGMRQWBKMNGELQO-UHFFFAOYSA-N
XLogP1.15
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.97
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-1-(dihydroxyamino)oxyethane?
The IUPAC name of 1,1-dichloro-1-(dihydroxyamino)oxyethane (CID 88562534) is 1,1-dichloro-1-(dihydroxyamino)oxyethane.
What is the SMILES notation for 1,1-dichloro-1-(dihydroxyamino)oxyethane?
The canonical SMILES for 1,1-dichloro-1-(dihydroxyamino)oxyethane is CC(Cl)(Cl)ON(O)O.
What is the InChIKey of 1,1-dichloro-1-(dihydroxyamino)oxyethane?
The InChIKey is GMRQWBKMNGELQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Cl2NO3/c1-2(3,4)8-5(6)7/h6-7H,1H3.
What are the key properties of 1,1-dichloro-1-(dihydroxyamino)oxyethane?
1,1-dichloro-1-(dihydroxyamino)oxyethane has a molecular weight of 161.97 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1-(dihydroxyamino)oxyethane is sourced from PubChem (CID 88562534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).