2,2-dichloro-2-(ethylamino)acetaldehyde

C4H7Cl2NO — CID 130010789

IUPAC2,2-dichloro-2-(ethylamino)acetaldehyde
SMILESCCNC(Cl)(Cl)C=O
InChIInChI=1S/C4H7Cl2NO/c1-2-7-4(5,6)3-8/h3,7H,2H2,1H3
InChIKeyUWSLNZAPPCLRLO-UHFFFAOYSA-N
MW156.01 g/mol
LogP0.93
Rot. Bonds3

About 2,2-dichloro-2-(ethylamino)acetaldehyde

2,2-dichloro-2-(ethylamino)acetaldehyde (PubChem CID 130010789) has the molecular formula C4H7Cl2NO and a molecular weight of 156.01 g/mol. Its IUPAC name is 2,2-dichloro-2-(ethylamino)acetaldehyde.

Molecular Properties

Compound Name2,2-dichloro-2-(ethylamino)acetaldehyde
PubChem CID130010789
Molecular FormulaC4H7Cl2NO
Molecular Weight156.01 g/mol
Exact Mass154.99
IUPAC Name2,2-dichloro-2-(ethylamino)acetaldehyde
SMILESCCNC(Cl)(Cl)C=O
InChIInChI=1S/C4H7Cl2NO/c1-2-7-4(5,6)3-8/h3,7H,2H2,1H3
InChIKeyUWSLNZAPPCLRLO-UHFFFAOYSA-N
XLogP0.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.01
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-2-(ethylamino)acetaldehyde?
The IUPAC name of 2,2-dichloro-2-(ethylamino)acetaldehyde (CID 130010789) is 2,2-dichloro-2-(ethylamino)acetaldehyde.
What is the SMILES notation for 2,2-dichloro-2-(ethylamino)acetaldehyde?
The canonical SMILES for 2,2-dichloro-2-(ethylamino)acetaldehyde is CCNC(Cl)(Cl)C=O.
What is the InChIKey of 2,2-dichloro-2-(ethylamino)acetaldehyde?
The InChIKey is UWSLNZAPPCLRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2NO/c1-2-7-4(5,6)3-8/h3,7H,2H2,1H3.
What are the key properties of 2,2-dichloro-2-(ethylamino)acetaldehyde?
2,2-dichloro-2-(ethylamino)acetaldehyde has a molecular weight of 156.01 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-2-(ethylamino)acetaldehyde is sourced from PubChem (CID 130010789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).