2,4,4-trichloro-3-hydroxybutanamide

C4H6Cl3NO2 — CID 88525886

IUPAC2,4,4-trichloro-3-hydroxybutanamide
SMILESNC(=O)C(Cl)C(O)C(Cl)Cl
InChIInChI=1S/C4H6Cl3NO2/c5-1(4(8)10)2(9)3(6)7/h1-3,9H,(H2,8,10)
InChIKeyRPNBEYYPTKRVKT-UHFFFAOYSA-N
MW206.46 g/mol
LogP0.24
Rot. Bonds3

About 2,4,4-trichloro-3-hydroxybutanamide

2,4,4-trichloro-3-hydroxybutanamide (PubChem CID 88525886) has the molecular formula C4H6Cl3NO2 and a molecular weight of 206.46 g/mol. Its IUPAC name is 2,4,4-trichloro-3-hydroxybutanamide.

Molecular Properties

Compound Name2,4,4-trichloro-3-hydroxybutanamide
PubChem CID88525886
Molecular FormulaC4H6Cl3NO2
Molecular Weight206.46 g/mol
Exact Mass204.95
IUPAC Name2,4,4-trichloro-3-hydroxybutanamide
SMILESNC(=O)C(Cl)C(O)C(Cl)Cl
InChIInChI=1S/C4H6Cl3NO2/c5-1(4(8)10)2(9)3(6)7/h1-3,9H,(H2,8,10)
InChIKeyRPNBEYYPTKRVKT-UHFFFAOYSA-N
XLogP0.24
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.46
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trichloro-3-hydroxybutanamide?
The IUPAC name of 2,4,4-trichloro-3-hydroxybutanamide (CID 88525886) is 2,4,4-trichloro-3-hydroxybutanamide.
What is the SMILES notation for 2,4,4-trichloro-3-hydroxybutanamide?
The canonical SMILES for 2,4,4-trichloro-3-hydroxybutanamide is NC(=O)C(Cl)C(O)C(Cl)Cl.
What is the InChIKey of 2,4,4-trichloro-3-hydroxybutanamide?
The InChIKey is RPNBEYYPTKRVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl3NO2/c5-1(4(8)10)2(9)3(6)7/h1-3,9H,(H2,8,10).
What are the key properties of 2,4,4-trichloro-3-hydroxybutanamide?
2,4,4-trichloro-3-hydroxybutanamide has a molecular weight of 206.46 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trichloro-3-hydroxybutanamide is sourced from PubChem (CID 88525886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).